Diiodoacetic Acid - ≥96% , CAS No.598-89-0

CAS: 598-89-0 Cat. No.: D342131 Summenformel: C₂H₂I₂O₂ Molekulargewicht: 311.85

GRADE & PURITY ≥96%

Synonyms

LMFA01090136 | Diiodoethanoic acid | SCHEMBL2437229 | 2,2-Diiodoacetic Acid | AKOS030255453 | DTXSID10564143 | Diiodoacetic acid | FT-0666876 | HY-133659

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Specifications

Synonyme

LMFA01090136 | Diiodoethanoic acid | SCHEMBL2437229 | 2,2-Diiodoacetic Acid | AKOS030255453 | DTXSID10564143 | Diiodoacetic acid | FT-0666876 | HY-133659

Spezifikationen & Reinheit

≥96%

Storage

Store at 2-8°C,Protected from light

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥96%

Namen und Kennungen

Kanonisches Lächeln

C(C(=O)O)(I)I

IUPAC Name

2,2-diiodoacetic acid

InChIKey

BQAMFNQVNXPFFH-UHFFFAOYSA-N

INCHI

1S/C2H2I2O2/c3-1(4)2(5)6/h1H,(H,5,6)

Isomere SMILES

C(C(=O)O)(I)I

Molekulargewicht

311.85

Reaxy-Rn

1744074

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1744074&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Klasse Carboxylic acids and derivatives
      • Subclass Alpha-halocarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: Carboxylic acids and derivatives
• Subclass: Alpha-halocarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Alpha-halocarboxylic acids
• Alternative Parents: Monocarboxylic acids and derivatives Carboxylic acids Organoiodides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl iodides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-halocarboxylic acid - Monocarboxylic acid or derivatives - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organoiodide - Organohalogen compound - Carbonyl group - Alkyl iodide - Alkyl halide - Aliphatic acyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as alpha-halocarboxylic acids. These are carboxylic acids containing a halogen atom bonded to the alpha carbon atom.
• External Descriptors: Halogenated fatty acids

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

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in chloroform, and methanol.
• Empfindlichkeit: Light sensitive
• Schmelzpunkt (°C): 99-102° C
• Molekulargewicht: 311.840 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 311.814 Da
• Monoisotopic Mass: 311.814 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 60.600
• 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥96% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C, protected from light. The material is light-sensitive — keep it in its original opaque or amber container.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 598-89-0, the molecular formula is C2H2I2O2, and the molecular weight is 311.85 g/mol. InChIKey BQAMFNQVNXPFFH-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.