Methyl difluoroacetate
Properties
- Molecular formula
- C3H4F2O2
- Molar mass
- 110.06 g/mol
- Exact mass
- 110.0179 Da
- Boiling point
- 85–86 °C
- logP
- 0.42Crippen estimate
- Polar surface area
- 26.3 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 1
Hazards
Danger
- H225 Highly Flammable liquid and vapor14.3% of notifiers
- H226 Flammable liquid and vapor85.7% of notifiers
- H302 Harmful if swallowed89.8% of notifiers
- H312 Harmful in contact with skin87.8% of notifiers
- H314 Causes severe skin burns and eye damage14.3% of notifiers
- H315 Causes skin irritation83.7% of notifiers
- H319 Causes serious eye irritation83.7% of notifiers
- H332 Harmful if inhaled87.8% of notifiers
- H335 May cause respiratory irritation87.8% 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, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
433-53-4SMILES
COC(=O)C(F)FInChIKey
CSSYKHYGURSRAZ-UHFFFAOYSA-NInChI
InChI=1S/C3H4F2O2/c1-7-3(6)2(4)5/h2H,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
5 names
- Acetic acid, 2,2-difluoro-, methyl ester
- Acetic acid, difluoro-, methyl ester
- Difluoroacetic acid methyl ester
- Methyl 2,2-difluoroacetate
- α,α-Difluoroacetic acid methyl ester
Work with Methyl 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
Dimethyl fluoromalonate344-14-964 % similar
Difluoroacetic anhydride401-67-257 % similar
Methyl isobutyrate547-63-752 % similar
Dimethyl methylmalonate609-02-952 % similar
Methyl 2-formyl-3-oxopropanoate50427-65-152 % similar
Methyl 2,3,3,3-tetrafluoropropanoate382-93-452 % similar
Methyl dichloroacetate116-54-150 % similar
Dimethyl (2S,3S)-2,3-dihydroxybutanedioate13171-64-750 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.