1-Methylethenyl carbonochloridate
Properties
- Molecular formula
- C4H5ClO2
- Molar mass
- 120.53 g/mol
- Exact mass
- 119.9978 Da
- Boiling point
- 102 °C
- logP
- 1.90Crippen 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
- H301 Toxic if swallowed95.2% of notifiers
- H311 Toxic in contact with skin95.2% of notifiers
- H314 Causes severe skin burns and eye damage100% of notifiers
- H331 Toxic if inhaled95.2% of notifiers
- H335 May cause respiratory irritation92.9% of notifiers
Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P270, P271, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P319, P321, P330, P361+P364, P363, P370+P378, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
57933-83-2SMILES
C=C(C)OC(=O)ClInChIKey
AMMGCGVWJMRTQI-UHFFFAOYSA-NInChI
InChI=1S/C4H5ClO2/c1-3(2)7-4(5)6/h1H2,2H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
3 names
- Carbonochloridic acid, 1-methylethenyl ester
- Isopropenyl chloroformate
- Prop-1-en-2-yl carbonochloridate
Work with 1-Methylethenyl carbonochloridate
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
Isopropenyl acetate108-22-554 % similar
Methyl chloroformate79-22-140 % similar
2-Methoxypropene116-11-036 % similar
Isopropyl chloroformate108-23-636 % similar
Ethyl chloroformate541-41-336 % similar
Propyl chloroformate109-61-533 % similar
Chloroethyl chloroformate50893-53-333 % similar
Isobutyl chloroformate543-27-133 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds