Calcium chloride - anhydrous, ACS, ≥96% , CAS No.10043-52-4

CAS: 10043-52-4 Cat. No.: C431203 Fórmula: CaCl₂ Peso molecular: 110.98 Número CE: 233-140-8 PubChem CID: 5284359

GRADE & PURITY Anhydrous Grade, ACS, ≥96%

Synonyms

INS NO.509 | Calcium(2+) chloride | DTXCID30235 | DTXSID5020235 | Calcium chloride, Prilled | Calcium dichloride | Bovikalc | Cacl2 (anhydrous) | DB01164 | Q208451 | [CaCl2] | Dowflake | CALCIUM CHLORIDE ANHYDROUS [HSDB] | 856 - Pickles | NCGC00260134-01

Specifications

Sinónimos

INS NO.509 | Calcium(2+) chloride | DTXCID30235 | DTXSID5020235 | Calcium chloride, Prilled | Calcium dichloride | Bovikalc | Cacl2 (anhydrous) | DB01164 | Q208451 | [CaCl2] | Dowflake | CALCIUM CHLORIDE ANHYDROUS [HSDB] | 856 - Pickles | NCGC00260134-01

Especificações e pureza

anhydrous, ACS, ≥96%

Grau

ACS, Anhydrous Grade

Pureza

≥96%

Nomes e identificadores

Sorrisos canónicos

[Cl-].[Cl-].[Ca+2]

IUPAC Name

calcium;dichloride

InChIKey

UXVMQQNJUSDDNG-UHFFFAOYSA-L

INCHI

1S/Ca.2ClH/h;2*1H/q+2;;/p-2

SMILES isoméricas

[Cl-].[Cl-].[Ca+2]

WGK Alemanha

1

PubChem CID

5284359

Peso molecular

110.98

Taxonomic Classification

Taxonomy Tree

• Kingdom Inorganic compounds
  • Superclass Mixed metal/non-metal compounds
    • Classe Alkaline earth metal salts
      • Subclass Alkaline earth metal chlorides

• Kingdom: Inorganic compounds
• Superclass: Mixed metal/non-metal compounds
• Classe: Alkaline earth metal salts
• Subclass: Alkaline earth metal chlorides
• Intermediate Tree Nodes: Not available
• Direct Parent: Alkaline earth metal chlorides
• Alternative Parents: Inorganic chloride salts Inorganic calcium salts
• Molecular Framework: Not available
• Substituents: Alkaline earth metal chloride - Inorganic calcium salt - Inorganic chloride salt - Inorganic salt
• Descrição: This compound belongs to the class of inorganic compounds known as alkaline earth metal chlorides. These are inorganic compounds in which the largest halogen atom is Chlorine, and the heaviest metal atom is a lanthanide.
• External Descriptors: inorganic chloride - calcium salt

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Alvos associados (não humanos)

Colletotrichum musae (107 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Fusarium verticillioides (912 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Lasiodiplodia theobromae (193 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de ação

Propriedades químicas e físicas

• Ponto de ebulição (°C): 1600°C
• Ponto de fusão (°C): 782°C
• Peso molecular: 110.980 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 109.9 Da
• Monoisotopic Mass: 109.9 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 3
• Formal Charge: 0
• Complexity: 0.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 3

XLogP3

Application Protocols

No vendor-tested bioassay protocols are provided for this item. For general laboratory use, literature-based examples include:

• Preparing CaCl2 stock solutions
  • Dissolve CaCl2 in water to desired molarity (e.g., 1–2 M); dissolution is exothermic—allow to cool before bringing to final volume. Filter-sterilize if sterility is required.
• Alginate gelation
  • Prepare 1–5% w/v CaCl2 solution. Dropwise add sodium alginate solution into CaCl2 with gentle stirring to form gel beads; cure 5–30 minutes, then rinse.
• Drying organic solvents
  • Add anhydrous CaCl2 to the solvent, swirl, and allow to stand until the solid remains free-flowing. Decant or filter before use. Avoid for alcohols/amines.

Any validated, product-specific protocols (WB, IHC, IF, FC, etc.): Not applicable to this chemical product and not specified for this item.

Biological Roles

This section provides general biochemical context for CaCl2 as a source of Ca2+; it does not imply biological testing of this specific item.

• Calcium ion physiology (literature)
  • Ca2+ is a ubiquitous secondary messenger regulating muscle contraction, neurotransmitter release, secretion, and myriad enzyme activities via calmodulin and other Ca2+-binding proteins.
  • Extracellular Ca2+ supports cell–cell adhesion (cadherins) and membrane stability; intracellular gradients are tightly controlled by channels, pumps, and buffers.
• Laboratory utility (literature)
  • CaCl2 solutions are used to supply defined Ca2+ in buffers and media, modulate enzyme/cofactor activity, and control aggregation/flocculation of polyelectrolytes.
  • Divalent cation-dependent processes (e.g., nuclease activities, protease stabilizations, polysaccharide gelation) are tuned by Ca2+ concentration, commonly in the 0.1–10 mM range.
• Osmotic/ionic strength effects (literature)
  • CaCl2 increases ionic strength approximately threefold per mol relative to monovalent salts; this can screen electrostatic interactions and affect macromolecular assembly.

No medical or clinical claims are made. Use is limited to research and laboratory applications.

Buffer Applications

Calcium chloride is not a buffering agent, but it is routinely added to buffer systems to supply Ca2+ or to adjust ionic strength (literature-based guidance):

• Common buffer additions (literature)
  • PBS or HEPES-buffered saline “with Ca2+ and Mg2+”: CaCl2 typically 0.5–2.0 mM; supports cell adhesion or Ca2+-dependent enzyme activity.
  • Enzyme/storage buffers: 0.1–10 mM CaCl2 to stabilize calcium-dependent proteins or inhibit undesired proteolysis.
• Practical preparation notes (literature)
  • Prepare a sterile, filtered CaCl2 stock (e.g., 1 M in water) and add to cooled, sterile buffer to final concentration; dissolution is exothermic—allow to cool before sterile filtration.
  • Avoid phosphate precipitation concerns? For CaCl2 at millimolar levels in phosphate buffers at neutral pH, solutions are typically clear; high Ca2+ with high phosphate can precipitate Ca3(PO4)2—verify compatibility.
• pH impact
  • CaCl2 does not provide buffering capacity; it has minimal effect on pH in well-buffered systems.

Item-specific buffer suitability or endotoxin/bioburden levels: Not specified for this item; refer to CoA/Spec Sheet if bioprocess use is intended.

Green Alternatives

Choice of desiccant/electrolyte can influence EHS profile, solvent waste, and energy use. For tasks where CaCl2 is typically used, consider the following (literature-based):

• Drying agents: comparison
  • Calcium chloride vs. sodium sulfate vs. magnesium sulfate vs. molecular sieves
  • Key tradeoffs:
    • Capacity/selectivity: CaCl2 has high capacity but reacts/complexes with alcohols/amines; MgSO4/Na2SO4 are more inert across functional groups; 3Å/4Å sieves provide deeper drying (<10–100 ppm H2O) and are reusable after activation.
    • Reusability: Molecular sieves are thermally regenerable; CaCl2 is difficult to regenerate efficiently once fully hydrated.
    • Solid waste: Reusable sieves reduce solid waste relative to single-use salts.
• Brining/cryogenic alternatives
  • For sub-zero cooling, salt brines (CaCl2 or NaCl) reduce reliance on halogenated refrigerants; however, salt discharge must be managed to prevent corrosion and aquatic impacts.
• Process safety and exposure
  • Using sieves or Na2SO4 can minimize exothermic heat and dust from CaCl2 dissolution when aqueous workups are frequent.

Example comparison (literature)

• For drying hydrocarbons: CaCl2 (fast, cheap) vs. 4Å sieves (deeper, reusable) — choose sieves for ppm-level dryness and waste minimization; choose CaCl2 for rapid bulk drying where trace water is acceptable.

Pharmaceutical Uses

For formulation and manufacturing context only (no therapeutic claims). The following are general, literature-based roles of CaCl2 in pharma and bioprocess settings:

• Excipient/processing aid (literature)
  • Electrolyte/tonicity adjuster in nonparenteral formulations where calcium content is desired.
  • Crosslinking agent for alginate microcapsules/beads used in drug delivery research and taste-masking matrices.
  • Protein stabilization/cofactor supply in certain biopharmaceutical processing buffers at controlled millimolar levels.
• Compendial status (literature)
  • Calcium Chloride has pharmacopeial monographs (e.g., USP–NF, Ph. Eur.) in various hydrate states and injection grades; this item’s compliance beyond ACS grade is not specified.
• Manufacturing utilities (literature)
  • As a desiccant for solvent drying in process laboratories (non-GMP utility use) and as a brine for low-temperature baths.

Item-specific claims regarding GMP, endotoxin, residual solvents, or excipient grade: Not specified for this item; refer to CoA/Spec Sheet.

Physical Properties

Values below are typical literature data for anhydrous CaCl2 and provided for context. They are not item-specific specifications for SKU C431203.

• Appearance: Not specified for this item; refer to CoA/Spec Sheet.
• Melting point: ~772 °C (literature)
• Boiling point/decomposition: ~1600 °C (decomposes; literature)
• Density (solid, 25 °C): ~2.15 g/cm³ (literature)
• Hygroscopicity: Strongly hygroscopic and deliquescent; readily forms hydrates (literature)
• Solubility (literature)
  • Water: highly soluble; ca. 74.5 g CaCl2 per 100 g H2O at 20 °C; dissolution is strongly exothermic
  • Ethanol: slight to moderate solubility (increases with water content)
  • Insoluble or sparingly soluble in many aprotic organics (e.g., hydrocarbons, ethers)
• Aqueous properties (literature)
  • Aqueous solutions are typically near-neutral to slightly acidic; no pKa (salt of strong acid/base)
  • Creates high-ionic-strength brines with depressed freezing points (down to ~−55 °C depending on concentration)
• Refractive index: Not applicable for solid; concentration-dependent for solutions (literature)
• Partition/logP: Not applicable (inorganic salt; literature)

Item-specific numerical specs (water content, metals, UV cutoff, etc.): Not specified for this item; refer to CoA/Spec Sheet.

Quality and Grades

• Item-specific grade
  • Anhydrous Grade, ACS: Meets American Chemical Society (ACS) reagent specifications for calcium chloride. Exact analyte limits (e.g., heavy metals, alkalinity, sulfate, magnesium/potassium) are governed by the ACS monograph but are not specified for this item; refer to CoA/Spec Sheet for the certified limits.
• What ACS grade implies (general)
  • Suitable for analytical and general laboratory use where defined impurity limits are required.
  • Typically low levels of polyvalent cation/anion impurities that could interfere with titrations, ion-exchange, or instrumental methods (literature).
• Anhydrous designation (general)
  • Supplied with very low water of crystallization; however, anhydrous CaCl2 is strongly hygroscopic and may rapidly form hydrates upon air exposure.
  • Practical implication: handle in a dry environment; promptly reseal containers. For moisture-critical applications (e.g., as a drying agent), pre-dry before use.
• Stabilizers/additives
  • Not specified for this item; refer to CoA/Spec Sheet.
• UV/HPLC suitability
  • Not specified for this item; refer to CoA/Spec Sheet if low-UV or trace-metal specifications are needed.

Reaction and Applications

Calcium chloride is a robust, inexpensive inorganic utility reagent with several roles across synthesis and laboratory operations (literature-based guidance):

• Desiccant/drying agent
  • Effective for drying nonpolar and some moderately polar organic solvents and gases. Avoid substrates containing alcohols, amines, or strong Lewis bases due to complexation/adduct formation.
  • Practical tip: use pelletized or granular anhydrous CaCl2 in a drying tube or packed column for gas/solvent streams; replace when clumping indicates hydration.
• Water scavenger/Le Châtelier driver
  • In equilibrium-limited condensations or acylations forming water, solid CaCl2 can be used externally (drying tube) to maintain anhydrous headspace; internally, use with caution to avoid contact with sensitive substrates.
• Phase behavior modifier
  • Aqueous CaCl2 brines are used to salt-out organics, enhance phase splits, and adjust partitioning in liquid–liquid extraction.
• Electrolyte/ionic strength control
  • Provides Ca2+ and Cl− for processes requiring high ionic strength or divalent cations (e.g., coagulation, polyelectrolyte complexation).
• Polymer/biopolymer gelation
  • Rapidly crosslinks alginates (guluronate blocks) to form Ca-alginate gels; useful for encapsulation and bead formation.
• Thermal applications
  • CaCl2–ice brines achieve sub-zero bath temperatures (down to ~−50 °C depending on concentration), useful for low-temperature reaction control.

Manufacturer Applications: Not specified beyond “For research use only.” The roles above expand common research uses consistent with general laboratory practice.

Reaction Conditions

Representative, literature-based guidance for common laboratory uses of anhydrous CaCl2 (not item-specific specifications):

• As a drying agent for organic solvents
  • Loading: approximately 0.1–0.5 g CaCl2 per mL of wet organic solvent; adjust based on water content and solvent polarity.
  • Contact time: 15–60 minutes with stirring/shaking; repeat with fresh CaCl2 if necessary until clarity/no clumping.
  • Compatibility caveat: avoid substrates/solvents bearing alcohols, amines, or other strong Lewis bases that form complexes.
  • Regeneration: partially hydrated CaCl2 can be dried at 150–200 °C under vacuum to reduce water; complete restoration is difficult compared to molecular sieves.
• Drying tubes/columns
  • Pack coarse CaCl2 between plugs of glass wool; use as guard to protect moisture-sensitive reactions from atmospheric humidity. Replace when mass gain/clumping is observed.
• Brine cooling baths
  • CaCl2–ice mixtures produce sub-zero temperatures; approximate temperature range down to ~−50 °C depending on concentration. Use corrosion-resistant containers and monitor temperature.
• Salt-out extractions
  • Add saturated CaCl2 solution or solid to increase ionic strength and promote phase separation of partially miscible organics (e.g., isopropanol/water systems).

Expected yields: Not applicable—CaCl2 is a utility reagent; yields depend on the primary reaction. Always validate conditions at small scale before scale-up.

Safety and Handling

Always consult the SDS for authoritative safety information. The following summarizes general handling guidance for anhydrous CaCl2 (literature-based).

• GHS classification and pictograms: Not specified for this item; refer to SDS. Calcium chloride is commonly classified as causing serious eye irritation; classifications may vary by jurisdiction.
• Key hazards (literature)
  • Exothermic hydration: contact with water generates heat; can cause thermal burns upon dissolution on skin.
  • Hygroscopic/deliquescent: absorbs moisture from air; can cause containers to cake/pressurize if improperly sealed.
  • Dust may cause mechanical irritation to eyes, skin, and respiratory tract.
• PPE recommendations (general lab practice)
  • Wear safety goggles/face shield, lab coat, and chemical-resistant gloves (e.g., nitrile). Use dust control (scoop in fume hood if possible).
• Handling/storage incompatibilities (literature)
  • Avoid contact with strong acids and strong bases in a way that produces heat or corrosive aerosols; avoid mixing with water in confined spaces due to heat generation.
  • Incompatible with bromine trifluoride and strong oxidizers (risk of violent reaction).
  • Can corrode metals in moist conditions; avoid prolonged contact with reactive metals.
• First aid (general)
  • Eyes: Rinse cautiously with water for at least 15 minutes; seek medical attention if irritation persists.
  • Skin: Brush off dry material, then wash with water; for large exposures to solutions, remove contaminated clothing.
  • Inhalation: Move to fresh air; rinse mouth/nasal passages with water; seek attention if symptoms persist.
  • Ingestion: Rinse mouth; give water if conscious; do not induce vomiting; seek medical advice.
• Spill/response (general)
  • Avoid dust generation; sweep up and place in dry container. For solutions, contain and dilute with water, then collect for disposal per local regulations.

Solvent Selection

This product is a solid inorganic salt, not a solvent. Traditional “solvent selection” does not apply. Instead, consider its behavior in common media (literature):

• Polarity/medium compatibility
  • Water: completely and exothermically soluble; generates high-ionic-strength solutions (“brines”).
  • Alcohols: limited solubility, enhanced by water content (e.g., hydroalcoholic mixtures).
  • Nonpolar and many aprotic organics (e.g., alkanes, ethers, chlorinated hydrocarbons): essentially insoluble; often used as a drying agent for these media (avoid for alcohols/amines due to complexation and solubility).
• Selection guidance (when using CaCl2 alongside solvents)
  • As a drying agent: preferred for hydrocarbons, some esters, and ethers that do not contain basic heteroatoms; avoid for alcohols, amines, or carbonyl compounds that form complexes/adducts.
  • As electrolyte: aqueous CaCl2 is used to adjust ionic strength or to depress freezing points (e.g., refrigeration brines).
• Comparison notes (literature)
  • For broad-spectrum drying of polar aprotics (e.g., acetonitrile, DMF), molecular sieves are often superior and non-reactive.
  • For gentle aqueous drying of organic layers, Na2SO4 or MgSO4 offer wider compatibility with protic/heteroatom-containing organics.

Storage and Reconstitution

• Item-specific storage/shipping: Not specified for this item; refer to CoA/Spec Sheet.
• General storage guidance for anhydrous CaCl2 (literature)
  • Store tightly sealed in a dry container, ideally under inert atmosphere or desiccator conditions to prevent hydration/deliquescence.
  • Avoid prolonged air exposure; recap promptly. Use original packaging with desiccant if provided.
  • Typical storage temperature: ambient (room temperature); avoid humid environments.
• Stability notes (literature)
  • Strongly hygroscopic; will convert to hydrates and may liquefy upon moisture uptake. Physical state changes do not necessarily indicate chemical contamination but may affect mass-based dosing.
• Reconstitution/pre-drying (literature)
  • To prepare aqueous solutions, add CaCl2 slowly to water with stirring due to exotherm; allow to cool before use.
  • For anhydrous applications, pre-dry solid at 150–200 °C under vacuum before use. Verify dryness by mass constancy.

Research Use Note: For research use only.

Structure and Identity

Calcium chloride (anhydrous) is an inorganic, ionic calcium(II) salt composed of a divalent calcium cation and two chloride anions.

• Item-specific identifiers (from Product Data)
  • SKU: C431203
  • CAS: 10043-52-4
  • CID: 5284359
  • InChIKey: 371988 (as provided)
  • Grade: Anhydrous Grade, ACS
• Literature identity data (general reference; not item-specific specifications)
  • Molecular formula: CaCl2 (literature)
  • Molecular weight: 110.98 g/mol (literature)
  • SMILES: [Ca+2].[Cl-].[Cl-] (literature)
• Structural features (general chemistry)
  • Ionic compound: Ca2+ coordinated electrostatically by two Cl−; extended ionic lattice in the solid state.
  • Hydrate forms (not this item): common hydrates include dihydrate (CaCl2·2H2O) and hexahydrate (CaCl2·6H2O) with distinct crystal networks (literature).
  • 2D description: a central Ca2+ counterbalanced by two terminal chloride anions; no covalent bonds within the formula unit; no stereocenters, no rings, no π-systems.
  • Coordination chemistry: as a hard Lewis acid, Ca2+ can coordinate to oxygen donors (e.g., water, alcohols, carbonyls), underlying its strong hydration and desiccant behavior (literature).

Synthetic Utility

From a synthetic chemist’s perspective, anhydrous CaCl2 serves primarily as a physical/ionic auxiliary rather than a stoichiometric reagent (literature-based):

• Drying and water management
  • Solid CaCl2 removes bulk water from many organic phases; supports water-sensitive steps by maintaining dry headspace in reaction setups (drying tubes, gas train).
• Lewis acidity and complexation
  • Ca2+ can coordinate to carbonyls and ethers, occasionally modulating reactivity or selectivity, though it is much milder than classic Lewis acids (e.g., AlCl3, BF3·OEt2). Caution: complexes with alcohols and amines can sequester substrate.
• Salt effects and phase engineering
  • “Salting-out” to improve extractions; tuning partition coefficients in biphasic systems; facilitating crystallizations by ionic strength control.
• Precursor in salt metathesis
  • Useful Ca2+ source to prepare poorly soluble calcium salts (e.g., oxalate, carbonate, phosphate) via double-displacement from soluble CaCl2 solutions.
• Materials and polymer chemistry
  • Crosslinking of alginates to form Ca2+-bridged gels; modulation of rheology and film formation in biopolymer composites.

While not a typical reagent for named organic transformations, its ubiquity in workup, drying, and materials preparation makes it a staple utility chemical.

Target Specificity

Not applicable. This product is an inorganic salt (calcium chloride), not a biological targeting reagent (e.g., antibody, probe, inhibitor). No antigen/epitope specificity applies.