3-Chloropropyl chloroformate
Properties
- Molecular formula
- C4H6Cl2O2
- Molar mass
- 156.99 g/mol
- Exact mass
- 155.9745 Da
- Density
- 1.2946 g/mL (at 25 °C)
- Boiling point
- 177 °C
- logP
- 1.99Crippen estimate
- Polar surface area
- 26.3 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 3
Hazards
Danger
- H302 Harmful if swallowedAcute toxicity, oral
- H315 Causes skin irritationSkin corrosion/irritation
- H317 May cause an allergic skin reactionSensitization, Skin
- H318 Causes serious eye damageSerious eye damage/eye irritation
- H331 Toxic if inhaledAcute toxicity, inhalation
- H373 ** May causes damage to organs through prolonged or repeated exposureSpecific target organ toxicity, repeated exposure
Harmonised EU classification (CLP Annex VI, index 607-417-00-2), via PubChem.
Precautionary statements
P260, P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P333+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
628-11-5SMILES
O=C(Cl)OCCCClInChIKey
MTXMEFUEBCFWCY-UHFFFAOYSA-NInChI
InChI=1S/C4H6Cl2O2/c5-2-1-3-8-4(6)7/h1-3H2Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
6 names
- Carbonochloridic acid, 3-chloropropyl ester
- Formic acid, chloro-, 3-chloropropyl ester
- (3-Chloropropoxy)carbonyl chloride
- γ-Chloropropyl chloroformate
- Chloroformic acid 3-chloropropyl ester
- 3-Chloropropyl carbonochloridate
Work with 3-Chloropropyl 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-Chloroethyl chlorocarbonate627-11-274 % similar
Butyl chloroformate592-34-759 % similar
Pentyl chloroformate638-41-557 % similar
Oxydiethylene chloroformate106-75-256 % similar
C,C′-[1,2-Ethanediylbis(oxy-2,1-ethanediyl)] dicarbonochloridate17134-17-756 % similar
Dodecyl chloroformate24460-74-055 % similar
Hexadecyl carbonochloridate26272-90-255 % similar
Heptyl carbonochloridate33758-34-855 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.