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

CAS: 383-62-0 Cat. No.: E101949 分子式: ClCF₂CO₂C₂H₅ 分子量: 158.53 Beilstein Registry Number: 2(4)497 EC番号: 206-850-0

グレード＆純度 ≥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

仕様

同義語

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

仕様と純度

≥98%

保管条件

Room temperature

入荷

Normal

純度

≥98%

名前と識別子

パブケム・シド

504754205

パブケム・シド・ウル

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

カノニカル・スマイル

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

異性体SMILES

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

WGKドイツ

3

UN番号

2924

分子量

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
    • 分類 Carboxylic acids and derivatives
      • Subclass Alpha-halocarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 感度: Moisture sensitive.
• 屈折率: 1.358
• 引火点（°F）: 64.4 °F
• 引火点（°C）: 18°
• 沸点（°C）: 96-97.5°C
• 分子量: 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