Ethyl chlorodifluoroacetate - ≥98% , CAS No.383-62-0

CAS: 383-62-0 Cat. No.: E101949 Fórmula: ClCF₂CO₂C₂H₅ Peso molecular: 158.53 Beilstein Registry Number: 2(4)497 Número CE: 206-850-0

GRAU & PUREZA ≥98%

Synonyms

Acetic acid,2-chloro-2,2-difluoro-, ethyl ester | Q-102551 | LS-12977 | Acetic acid, chlorodifluoro-, ethyl ester | MFCD00013662 | BCP24418 | EINECS 206-850-0 | ethyl chlordifluoroacetate | Ethyl chlorodifluoroacetate | FT-0623643 | Ethyl chlorodifluoroet

Storage

Room temperature

Shipped In

Normal

Especificações

Sinónimos

Acetic acid,2-chloro-2,2-difluoro-, ethyl ester | Q-102551 | LS-12977 | Acetic acid, chlorodifluoro-, ethyl ester | MFCD00013662 | BCP24418 | EINECS 206-850-0 | ethyl chlordifluoroacetate | Ethyl chlorodifluoroacetate | FT-0623643 | Ethyl chlorodifluoroet

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

504754205

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504754205

Sorrisos canónicos

CCOC(=O)C(F)(F)Cl

IUPAC Name

ethyl 2-chloro-2,2-difluoroacetate

InChIKey

GVCAWQUJCHZRCB-UHFFFAOYSA-N

INCHI

1S/C4H5ClF2O2/c1-2-9-3(8)4(5,6)7/h2H2,1H3

SMILES isoméricas

CCOC(=O)C(F)(F)Cl

WGK Alemanha

3

Número UN

2924

Peso molecular

158.53

Beilstein

2(4)497

Reaxy-Rn

1761413

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1761413&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Alpha-halocarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Alpha-halocarboxylic acid derivatives
• Alternative Parents: Carboxylic acid esters Monocarboxylic acids and derivatives Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides Alkyl chlorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-halocarboxylic acid derivative - Carboxylic acid ester - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organofluoride - Organochloride - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl fluoride - Alkyl chloride - Aliphatic acyclic compound
• Descrição: This compound belongs to the class of organic compounds known as alpha-halocarboxylic acid derivatives. These are carboxylic acid derivatives 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

Propriedades químicas e físicas

• Sensibilidade: Moisture sensitive.
• Índice de refração: 1.358
• Ponto de inflamação (°F): 64.4 °F
• Ponto de inflamação (°C): 18°
• Ponto de ebulição (°C): 96-97.5°C
• Peso molecular: 158.530 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 157.995 Da
• Monoisotopic Mass: 157.995 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 115.000
• 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: 1