Methyl chloroformate
Properties
- Molecular formula
- C2H3ClO2
- Molar mass
- 94.49 g/mol
- Exact mass
- 93.9822 Da
- Density
- 1.223 g/mL (at 20 °C)
- Melting point
- −61 °C
- Boiling point
- 71 °C
- Flash point
- 24.4 °C (closed cup)
- logP
- 0.99Crippen estimate
- Polar surface area
- 26.3 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 0
Hazards
Danger
- H225 Highly Flammable liquid and vaporFlammable liquids
- H302 Harmful if swallowedAcute toxicity, oral
- H312 Harmful in contact with skinAcute toxicity, dermal
- H314 Causes severe skin burns and eye damageSkin corrosion/irritation
- H330 Fatal if inhaledAcute toxicity, inhalation
Harmonised EU classification (CLP Annex VI), via PubChem.
Precautionary statements
P210, P233, P240, P241, P242, P243, P260, P264, P270, P271, P280, P284, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P320, P321, P330, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
79-22-1SMILES
COC(=O)ClInChIKey
XMJHPCRAQCTCFT-UHFFFAOYSA-NInChI
InChI=1S/C2H3ClO2/c1-5-2(3)4/h1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
9 names
- Carbonochloridic acid, methyl ester
- Formic acid, chloro-, methyl ester
- Chloroformic acid methyl ester
- Methyl chlorocarbonate
- Chlorocarbonic acid methyl ester
- Methoxycarbonyl chloride
- Methyl carbonochloridate
- Methyl chloroformate ester
- Chloro(methoxy)methanone
Work with Methyl chloroformate
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
2-Methoxyethyl chloroformate628-12-644 % similar
Isopropyl chloroformate108-23-643 % similar
Ethyl chloroformate541-41-343 % similar
Methyl oxalyl chloride5781-53-343 % similar
Dimethyl oxalate553-90-242 % similar
Dimethyl carbonate616-38-642 % similar
Propyl chloroformate109-61-540 % similar
Chloroethyl chloroformate50893-53-340 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds