Ethyl 2-chloro-2,2-difluoroacetate

C₄H₅ClF₂O₂CAS 383-62-0158.53 g/mol

Open in Covalent MOL file

Alkyl halide Ester

Properties

Molecular formula: C₄H₅ClF₂O₂
Molar mass: 158.53 g/mol
Exact mass: 157.9946 Da
Density: 1.2471 g/mL (at 30 °C)
Boiling point: 95.5 °C
logP: 1.38Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Hazards

Danger

H225 Highly Flammable liquid and vapor100% of notifiers
H314 Causes severe skin burns and eye damage97.9% of notifiers
H318 Causes serious eye damage85.1% of notifiers

Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P363, P370+P378, P403+P235, P405, P501

Identifiers

CAS number

383-62-0

SMILES

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

InChIKey

GVCAWQUJCHZRCB-UHFFFAOYSA-N

InChI

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

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

7 names

Acetic acid, 2-chloro-2,2-difluoro-, ethyl ester
Acetic acid, chlorodifluoro-, ethyl ester
Ethyl chlorodifluoroacetate
Chlorodifluoroacetic acid ethyl ester
NSC 62664
Difluorochloroacetic acid ethyl ester
Ethyl difluorochloroacetate

Work with Ethyl 2-chloro-2,2-difluoroacetate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,4-Diethyl 2,2,3,3-tetrafluorobutanedioate377-71-961 % similar Ethyl trifluoroacetate383-63-161 % similar Ethyl trichloroacetate515-84-461 % similar Diethyl 2,2-difluoromalonate680-65-961 % similar 2,2-Difluoropropionic acid ethyl ester28781-85-357 % similar Chlorodifluoroacetic anhydride2834-23-356 % similar Methyl 2-chloro-2,2-difluoroacetate1514-87-055 % similar 1,5-Diethyl 2,2,3,3,4,4-hexafluoropentanedioate424-40-855 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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