Organochlorosilane - Organic metalloid salt - Alkylhalosilane - Hydrocarbon derivative - Organic salt - Aliphatic acyclic compound
Beschreibung
This compound belongs to the class of organic compounds known as organochlorosilanes. These are organosilicon compounds where the tetravalent silicon atom is linked to one or more chlorine atoms.
External Descriptors
Not available
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.
Zertifikate (CoA, COO, BSE/TSE und Analyse-Diagramm)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemische und physikalische Eigenschaften
Empfindlichkeit
Moisture sensitive
Flammpunkt (°C)
63°C(lit.)
Siedepunkt (°C)
171-172°
Molekulargewicht
205.600 g/mol
XLogP3
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
0
Rotatable Bond Count
3
Exact Mass
203.97 Da
Monoisotopic Mass
203.97 Da
Topological Polar Surface Area
0.000 Ų
Heavy Atom Count
9
Formal Charge
0
Complexity
69.100
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
1
Lösungsrechner
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Application Protocols
No vendor-tested biological application protocols are provided for this item. For materials/surface uses, representative literature-style outlines include:
Oxide surface silanization (solution): Clean and hydroxylate substrate (UV-ozone 10–20 min). Transfer to a dry vessel with 0.5–1% v/v amyltrichlorosilane in dry toluene. React 30–60 min under inert atmosphere. Rinse with dry toluene/hexane, then cure 120 °C for 30 min. Store samples desiccated.
Vapor-phase treatment: Place substrates in a dry chamber, evacuate/backfill with N2, introduce silane vapor (closed vessel or carrier flow) for 30–90 min. Purge and cure. Verify by water contact angle or XPS/IR.
Adjust times/temperatures per your substrate and facility SOPs. Always consult the SDS and your institution’s safety protocols.
Biological Roles
This is a synthetic organosilicon surface modifier. It does not have inherent biological roles or metabolic functions. In laboratory contexts, its relevance to biology is indirect—providing hydrophobic coatings on oxide surfaces, tailoring biomaterial interfaces, or preparing model surfaces for protein or cell-adhesion studies. No endogenous biochemical pathways involve this compound. For research use only (per Product Data).
Buffer Applications
Not typically applicable. Amyltrichlorosilane is moisture-reactive and incompatible with aqueous buffers; it hydrolyzes producing HCl and silanols. For aqueous surface chemistry, consider trialkoxysilanes that can be applied in water–alcohol mixtures under controlled pH.
Green Alternatives
Trichlorosilanes are highly reactive and generate HCl upon hydrolysis, which presents handling and environmental burdens. When application requirements allow, consider alternatives that reduce corrosive byproducts while balancing performance.
Comparison (literature/general trends):
Amyltrichlorosilane (R–SiCl3)
Pros: High reactivity; dense monolayers on hydroxylated surfaces at low water activity; efficient at room temperature or mild heating.
Cons: Evolves HCl; sensitive to moisture; potential for polymeric film formation if water not controlled; stringent anhydrous handling.
Amyltrialkoxysilanes (e.g., amyltrimethoxysilane or amyltriethoxysilane)
Pros: Less corrosive byproducts (alcohols instead of HCl); can be processed in alcoholic or aqueous–alcoholic media; often easier waste management.
Cons: Lower intrinsic surface reactivity; may require catalysts (acid/base) or elevated temperature; monolayer order/density can be lower.
Vapor-phase HMDS (hexamethyldisilazane) for silanol capping
Pros: Generates NH3 (manageable in scrubbing); excellent for rapid hydrophobization of SiO2.
Cons: Yields –SiMe3 terminations (different surface energy vs. C5 chain); not equivalent where chain-length-dependent properties are required.
Selection guidance:
For microfabrication with strict defect control and minimal acid handling, trialkoxysilanes or HMDS may be “greener” choices.
For maximum packing density and low-temperature processing, trichlorosilanes remain preferred; mitigate impacts via closed systems, HCl scrubbing, and solvent recycling.
Pharmaceutical Uses
Not typically used as a pharmaceutical excipient or dosage-form component. In a manufacturing research context, alkylsilanes can be explored for surface treatments of equipment or particles to modify wettability and flow, but amyltrichlorosilane’s corrosive hydrolysis (HCl release) makes it unsuitable for most GMP environments. No pharmacopeial monograph is indicated. For research use only (per Product Data).
Physical Properties
Item-specific specifications: Not specified for this item; refer to CoA/Spec Sheet.
Literature/general information (for reference only; not product specifications):
Physical state/appearance: typically a colorless, moisture-sensitive liquid (literature for alkyltrichlorosilanes).
Volatility: moderate; alkyltrichlorosilanes of C3–C8 show appreciable vapor pressures at ambient conditions; use in well-ventilated hoods.
Hydrolysis: rapid in the presence of moisture with HCl evolution; forms silanols and subsequently polysiloxanes on oxide surfaces (literature behavior of R–SiCl3).
Solubility: miscible with many nonpolar and moderately polar aprotic organic solvents (e.g., hexanes, toluene, chlorinated solvents); reacts with protic solvents and water (literature).
Density, refractive index, boiling point, melting point, pKa/logP: Not specified for this item; refer to CoA/Spec Sheet. If needed for method development, consult primary literature or measure under anhydrous conditions due to hydrolysis risk.
Practical notes:
Handle and characterize under dry inert atmosphere to avoid hydrolysis skewing physical measurements.
For GC or purity checks, employ rigorously dry injection conditions and deactivated liners to minimize hydrolytic artifacts.
Quality and Grades
Item-specific grade/purity: Not specified for this item; refer to CoA/Spec Sheet.
General expectations for silanization-grade alkyltrichlorosilanes (literature/practice):
Low hydrolyzable chloride contaminants beyond the inherent Si–Cl content; minimal residual acid (HCl) and oligomers to ensure reproducible monolayer formation.
High GC purity and low moisture content are important because hydrolysis products can polymerize and foul surfaces.
Stabilizers: Not specified for this item; refer to CoA/Spec Sheet. Many chlorosilanes are packaged under inert gas without added stabilizers to avoid interference in surface reactions.
What grade means in practice:
For surface chemistry and microfabrication, higher grades (often termed “electronic” or “silanization” grade) provide lower particle/ionic residues, enabling defect-minimized self-assembled monolayers (SAMs).
For synthetic transformations, analytical reagent (AR) or ≥95–98% assay is commonly acceptable, provided rigorous anhydrous technique is used.
Recommendation: Review the lot-specific CoA for assay, residual solvent, and any trace-metal/anion data relevant to your application (e.g., microelectronics vs. general materials chemistry).
Reaction and Applications
Amyltrichlorosilane is primarily used as a surface-modification reagent and as a precursor to other organosilicon derivatives.
Key application families (literature/general):
Self-assembled monolayers (SAMs) on oxide surfaces: The –SiCl3 group hydrolyzes at hydroxylated surfaces (SiO2, Al2O3, TiO2), forming Si–O–M bonds and cross-linked siloxane networks. The n-pentyl chain imparts hydrophobicity and adjusts surface energy and wetting behavior.
Silica and glass functionalization: Tailoring particle dispersion in nonpolar media; improving barrier properties; modifying chromatographic stationary phases during method development studies.
Precursor transformations: Alcoholysis to trialkoxysilanes (R–Si(OR′)3), controlled partial hydrolysis to silanols (R–Si(OH)3) in situ (under rigorously controlled water) for sol–gel or condensation chemistry.
Patterning and microfabrication: Formation of hydrophobic resists, anti-stiction coatings for MEMS, or tuning adhesion at polymer/oxide interfaces.
Practical notes:
Strict control of water activity is essential to favor monolayer formation over bulk polymerization. Sub-ppm water in solution-phase protocols is often targeted; in vapor-phase, relative humidity is typically kept low (<5% RH) unless thicker films are desired (literature guidance).
Clean, hydroxylated substrates (UV-ozone or oxygen plasma treated) yield more uniform films. Post-deposition thermal cure (e.g., 110–150 °C, 10–60 min; literature) enhances condensation and robustness.
Reaction Conditions
General literature guidance for common uses (not product specifications):
Solvent: dry toluene or heptane; 0.1–2% v/v silane.
Water activity: rigorously low in bulk solution; rely on surface –OH and trace water. Adventitious water above trace levels promotes polymerization.
Temperature/time: ambient to 70 °C for 15–120 min. Post-rinse and cure at 110–150 °C for 10–60 min to drive condensation.
Substrate prep: oxygen plasma or UV-ozone to maximize –OH density; anhydrous transfer recommended.
Vapor-phase deposition:
Place substrates in a dry chamber; introduce silane vapor under inert gas at low mbar. Maintain low relative humidity (<5% RH) to favor monolayers; 30–120 min contact; optional thermal cure.
Alcoholysis to trialkoxysilane:
Solvent: neat alcohol (ROH) or dry ether/hydrocarbon with ROH; base scavenger (e.g., Et3N) to neutralize HCl; 0–25 °C initial addition, then stir to completion.
Work-up: filter salts, evaporate volatiles under dry conditions; avoid aqueous washes that would re-hydrolyze the product.
Safety/process notes:
Continuous removal or scrubbing of HCl (gas trap, base) prevents equipment corrosion and side reactions.
Employ dried glassware and inert atmosphere throughout; monitor by IR (Si–Cl, Si–O) or contact-angle on test substrates for surface processes.
Safety and Handling
GHS classification, signal word, pictograms, and H-statements: Not specified for this item; refer to the SDS for authoritative safety information.
General hazards (literature for alkyltrichlorosilanes):
Moisture-sensitive; reacts with water, alcohols, and humid air to release hydrogen chloride (HCl), a corrosive gas, and to form silanols/siloxanes.
Can cause severe skin, eye, and respiratory irritation or burns due to HCl and acid chlorosilane reactivity.
Vapors may be irritating; work in a certified chemical fume hood.
Handling practices:
Use only under inert atmosphere (argon/nitrogen) in dry glassware. Product is supplied argon charged (per Product Data).
Avoid all contact with water, moist air, and protic solvents.
Recommended PPE: chemical-resistant gloves (e.g., butyl rubber, Viton), splash goggles or face shield, lab coat; use an acid gas cartridge respirator only if engineering controls are inadequate and after risk assessment.
Skin/eye contact: immediate decontamination with copious water for at least 15 minutes; remove contaminated clothing; seek medical attention.
Inhalation: move to fresh air, monitor breathing; seek medical attention.
Ingestion: do not induce vomiting; rinse mouth; seek immediate medical attention.
Fire response: while specific flammability is not specified for this item, handle away from ignition sources; use dry chemical or CO2 on small fires. Water may exacerbate corrosive HCl release.
Solvent Selection
This product is a moisture-reactive reagent rather than a solvent. Selection of the reaction medium is therefore driven by stability and surface/process goals.
Polarity/miscibility profile (literature):
Compatible with dry, aprotic, non-nucleophilic solvents: alkanes (hexanes, heptane, isooctane), aromatic hydrocarbons (toluene, xylene), and some chlorinated solvents (dry DCM) when rigorously anhydrous.
Incompatible with water and protic solvents (alcohols); rapid hydrolysis liberates HCl and forms silanols.
When to choose what:
Surface silanization of oxides: dry toluene or heptane are widely used; toluene can enhance wetting of high-energy surfaces; alkanes minimize side reactions.
Vapor-phase deposition: solvent-free; control partial pressure and humidity to tune monolayer vs. polymeric growth.
Solution-phase coupling to particles (silica, alumina): dry heptane/toluene facilitate dispersion and controlled hydrolysis at interfaces.
Comparisons (literature):
Trichlorosilanes vs. trialkoxysilanes: trichlorosilanes are more reactive and form denser monolayers at lower water activity but evolve HCl and demand stricter dryness; trialkoxysilanes are milder and often easier to handle in alcohols/water-alcohol mixtures.
Practical tips:
Dry the solvent over molecular sieves (3Å/4Å) or distill from drying agents; verify Karl Fischer water if process-critical.
Degas and maintain inert conditions to minimize adventitious moisture and CO2.
Storage and Reconstitution
Storage (from Product Data): Room temperature, argon charged. Keep container tightly closed under inert gas. Protect from moisture/humidity.
Shipping: Shipped via FedEx DG Service (per Product Data).
Container and atmosphere:
Store in dry, compatible containers (e.g., glass with PTFE-lined closure) equipped to maintain an inert headspace. Minimize headspace exchange; use septum caps for syringe handling.
Stability considerations:
Chlorosilanes hydrolyze upon moisture ingress, releasing HCl and forming oligomeric siloxanes; such degradation is often autocatalytic. Inspect periodically for pressure build-up or haze indicative of hydrolysis; if observed, quarantine and consult SDS.
Reconstitution: Not applicable; supplied neat. If dilution is required, prepare solutions in rigorously dry, oxygen-free solvents (e.g., toluene, heptane) under inert atmosphere immediately before use.
Freeze–thaw: Not applicable. Avoid refrigeration if it risks condensation on opening; equilibrate sealed containers to the dry glovebox or desiccator before opening.
Shelf-life: Not specified for this item; refer to CoA/Spec Sheet. For best performance in silanization, use freshly opened material or aliquots to limit moisture exposure.
Structure and Identity
Amyltrichlorosilane is an organosilicon reagent consisting of a linear n-pentyl (amyl) chain bound to a trichlorosilyl group.
Item-specific identifiers (from Product Data):
CAS: 107-72-2
InChIKey: Not specified for this item; refer to CoA/Spec Sheet.
SMILES: Not specified for this item; refer to CoA/Spec Sheet.
Example SMILES (literature): CCCCCSi(Cl)Cl (represents an n-amyl group on SiCl3)
Structural features (general description):
Functional groups: one tetravalent silicon center bearing three chlorides (–SiCl3) and one saturated n-alkyl substituent (–C5H11).
No rings or unsaturation; straight-chain C5 alkyl tail confers hydrophobicity.
The Si–Cl bonds are highly hydrolyzable, producing HCl and silanols upon contact with water; subsequent condensation yields siloxane networks or surface-bound monolayers on oxide substrates.
2D depiction in words: a five-carbon linear chain (CH3–CH2–CH2–CH2–CH2–) attached at the terminal carbon to silicon; the silicon atom bears three chlorides arranged around it (R–SiCl3).
Synthetic Utility
Functional group leverage:
The Si–Cl bonds are versatile handles for substitution chemistry: alcoholysis to trialkoxysilanes; ammonolysis/aminolysis to silyl amines; hydrolysis/condensation to silanols/siloxanes. These pathways enable rapid access to families of amyl-substituted silanes and polysiloxanes.
Surface coupling:
On hydroxylated inorganic surfaces, sequential hydrolysis/condensation forms robust Si–O–M linkages. The hydrophobic n-pentyl tail modulates surface energy without excessive chain crystallinity—useful when C18 layers are too waxy and C1–C3 too polar.
Materials synthesis:
As a monofunctional organosilane, it acts as an end-capper in sol–gel networks to tune crosslink density and flexibility, and as a compatibilizer for oxide-filled polymer composites.
Retrosynthesis considerations:
If an application requires the corresponding trialkoxysilane, direct alcoholysis of R–SiCl3 under anhydrous conditions with stoichiometric alcohol and base (to neutralize HCl) can be more atom-efficient than separate synthesis from silanes.
Method development notes:
Control of nucleophile strength and temperature is key; uncontrolled addition leads to gelation via polysiloxane formation. Employ hindered bases or continuous HCl removal when targeting discrete substitution products (literature practice).
Target Specificity
Not applicable. This product is a small-molecule organosilane, not a biological targeting reagent or antibody. No antigen/epitope specificity is associated with this item.
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