Methyl fluoroacetate

C₃H₅FO₂CAS 453-18-992.07 g/mol

Open in Covalent MOL file

Alkyl halide Ester

Properties

Molecular formula: C₃H₅FO₂
Molar mass: 92.07 g/mol
Exact mass: 92.0274 Da
Density: 1.1744 g/mL (at 20 °C)
Melting point: −35 °C
Boiling point: 104.5 °C
Water solubility: soluble
logP: 0.13Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Danger

H226 Flammable liquid and vapor58.3% of notifiers
H300 Fatal if swallowed40.6% of notifiers
H315 Causes skin irritation57.3% of notifiers
H319 Causes serious eye irritation57.3% of notifiers
H335 May cause respiratory irritation57.3% of notifiers
H400 Very toxic to aquatic life39.6% of notifiers

Aggregated from 96 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

453-18-9

SMILES

COC(=O)CF

InChIKey

RJBYSQHLLIHSLT-UHFFFAOYSA-N

InChI

InChI=1S/C3H5FO2/c1-6-3(5)2-4/h2H2,1H3

Weigh it out

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

Names and synonyms

3 names

Acetic acid, 2-fluoro-, methyl ester
Acetic acid, fluoro-, methyl ester
Methyl 2-fluoroacetate

Work with Methyl fluoroacetate

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 succinate106-65-057 % similar Dimethyl malonate108-59-857 % similar Dimethyl glutarate1119-40-055 % similar 4-Fluorobutyric acid methyl ester406-20-254 % similar Methyl propionate554-12-152 % similar Dimethyladipate627-93-052 % similar Ethyl fluoroacetate459-72-352 % similar Dimethyl sebacate106-79-650 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Fluoropropanoic acid461-56-3 2-Fluoropropionic acid6087-13-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia