Ethyl chlorofluoroacetate
Properties
- Molecular formula
- C4H6ClFO2
- Molar mass
- 140.54 g/mol
- Exact mass
- 140.0040 Da
- Density
- 1.227 g/mL (at 25 °C)
- Boiling point
- 129 °C
- logP
- 1.08Crippen estimate
- Polar surface area
- 26.3 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 2
Hazards
Danger
- H226 Flammable liquid and vapor100% of notifiers
- H302 Harmful if swallowed13.3% of notifiers
- H312 Harmful in contact with skin13.3% of notifiers
- H314 Causes severe skin burns and eye damage100% of notifiers
- H332 Harmful if inhaled13.3% of notifiers
Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P370+P378, P403+P235, P405, P501
Identifiers
CAS number
401-56-9SMILES
CCOC(=O)C(F)ClInChIKey
WUHVJSONZHSDFC-UHFFFAOYSA-NInChI
InChI=1S/C4H6ClFO2/c1-2-8-4(7)3(5)6/h3H,2H2,1H3Weigh 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-fluoro-, ethyl ester
- Acetic acid, chlorofluoro-, ethyl ester
- Ethyl fluorochloroacetate
- Ethyl 2-chloro-2-fluoroacetate
Reactions
Work with Ethyl chlorofluoroacetate
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
1,3-Diethyl 2-chloropropanedioate14064-10-963 % similar
Ethyl difluoroacetate454-31-963 % similar
Diethyl fluoromalonate685-88-163 % similar
Ethyl 2-fluoropropionate127306-59-659 % similar
Ethyl 2-chloropropionate535-13-759 % similar
Ethyl 2-chloro-3-oxopropanoate33142-21-158 % similar
1,1,1-Triethyl methanetricarboxylate6279-86-358 % similar
Ethyl bromofluoroacetate401-55-857 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds