Sodium 2,2-Dichloropropionate - ≥85%(T) , CAS No.127-20-8

CAS: 127-20-8 Cat. No.: S161405 Peso molecular: 164.94 Número EC: 204-828-5 PubChem CID: 517058

GRADE & PURITY ≥85%(T)

Synonyms

MFCD00064199 | Propionic acid, 2,2-dichloro-, sodium salt | Dalapon sodium salt | Dikopan | Tox21_201112 | J-005474 | Natriumsalz der 2,2-dichlorpropionsaure | Q27295240 | 2,2-Dichloro propionic acid sodium salt | DALAPON-SODIUM [ISO] | Dowpon S | EPA Pes

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

MFCD00064199 | Propionic acid, 2, 2-dichloro-, sodium salt | Dalapon sodium salt | Dikopan | Tox21_201112 | J-005474 | Natriumsalz der 2, 2-dichlorpropionsaure | Q27295240 | 2, 2-Dichloro propionic acid sodium salt | DALAPON-SODIUM [ISO] | Dowpon S | EPA Pes

Especificaciones y pureza

≥85%(T)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥85%(T)

Nombres e identificadores

• Pubchem Sid: 488189965
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488189965
• Sonrisas canónicas: CC(C(=O)[O-])(Cl)Cl.[Na+]
• IUPAC Name: sodium;2,2-dichloropropanoate
• InChIKey: PDEFQWNXOUGDJR-UHFFFAOYSA-M
• INCHI: 1S/C3H4Cl2O2.Na/c1-3(4,5)2(6)7;/h1H3,(H,6,7);/q;+1/p-1
• Isómeros SMILES: CC(C(=O)[O-])(Cl)Cl.[Na+]
• RTECS: UF1225000
• PubChem CID: 517058
• Peso molecular: 164.94
• Reaxy-Rn: 3572460

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Alpha-halocarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Alpha-halocarboxylic acids
• Alternative Parents: Carboxylic acid salts Organic metal halides Monocarboxylic acids and derivatives Carboxylic acids Organochlorides Organic sodium salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-halocarboxylic acid - Carboxylic acid salt - Organic metal halide - Carboxylic acid - Organic alkali metal salt - Monocarboxylic acid or derivatives - Alkyl chloride - Organic salt - Organooxygen compound - Organochloride - Organohalogen compound - Organic sodium salt - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Alkyl halide - Aliphatic acyclic compound
• Descripción: 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: Not available

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

Propiedades químicas y físicas

• Peso molecular: 164.950 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 163.941 Da
• Monoisotopic Mass: 163.941 Da
• Topological Polar Surface Area: 40.100 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 93.300
• 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: 2

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