Methyl 2-chloro-2,2-difluoroacetate
Properties
- Molecular formula
- C3H3ClF2O2
- Molar mass
- 144.50 g/mol
- Exact mass
- 143.9790 Da
- Density
- 1.3701 g/mL (at 18 °C)
- Boiling point
- 79–81 °C
- logP
- 0.99Crippen estimate
- Polar surface area
- 26.3 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 1
Hazards
Danger
- H225 Highly Flammable liquid and vapor100% of notifiers
- H314 Causes severe skin burns and eye damage98% of notifiers
Aggregated from 49 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, P501
Identifiers
CAS number
1514-87-0SMILES
COC(=O)C(F)(F)ClInChIKey
AWUPLMYXZJKHEG-UHFFFAOYSA-NInChI
InChI=1S/C3H3ClF2O2/c1-8-2(7)3(4,5)6/h1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
4 names
- Acetic acid, 2-chloro-2,2-difluoro-, methyl ester
- Acetic acid, chlorodifluoro-, methyl ester
- Methyl chlorodifluoroacetate
- Chlorodifluoroacetic acid methyl ester
Work with Methyl 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
Chlorodifluoroacetic anhydride2834-23-363 % similar
Dimethyl tetrafluorosuccinate356-36-556 % similar
Dimethyl difluoromalonate379-95-356 % similar
Methyl trifluoroacetate431-47-056 % similar
Methyl trichloroacetate598-99-256 % similar
Ethyl 2-chloro-2,2-difluoroacetate383-62-055 % similar
Methyl 2-fluoroisobutyrate338-76-152 % similar
Dimethyl hexafluoroglutarate1513-62-850 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.