chempirical

Chloroethyl chloroformate

C3H4Cl2O2CAS 50893-53-3142.96 g/mol

Open in Covalent MOL file
ClOOCl
Acyl halideAlkyl halide

Properties

Molecular formula
C3H4Cl2O2
Molar mass
142.96 g/mol
Exact mass
141.9588 Da
Melting point
55–56 °C
Boiling point
118–119 °C
logP
1.95Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

Danger
Flammable (GHS02)Corrosive (GHS05)Acute Toxic (GHS06)Irritant (GHS07)

Aggregated from 57 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P280, P284, P301+P317, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P320, P321, P330, P363, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number
50893-53-3
SMILES
CC(Cl)OC(=O)Cl
InChIKey
QOPVNWQGBQYBBP-UHFFFAOYSA-N
InChI
InChI=1S/C3H4Cl2O2/c1-2(4)7-3(5)6/h2H,1H3

Weigh it out

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

Names and synonyms

8 names
  • Carbonochloridic acid, 1-chloroethyl ester
  • 1-Chloroethyl chloroformate
  • α-Chloroethyl chloroformate
  • 1-Chloroethyl carbonochloridate
  • α-Chloroethoxycarbonyl chloride
  • Chloroformic acid 1-chloroethyl ester
  • 1-Chlorocarbonyloxy-1-chloroethane
  • Chloro(1-chloroethoxy)methanone

Work with Chloroethyl 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

Isopropyl chloroformate108-23-658 % similar 1-Chloroethyl 1-methylethyl carbonate98298-66-950 % similar 1-Methylpropyl carbonochloridate17462-58-748 % similar α-Chlorodiethyl carbonate50893-36-245 % similar Cyclopentyl chloroformate50715-28-143 % similar Isobutyl chloroformate543-27-143 % similar 1-Chloroethyl cyclohexyl carbonate99464-83-242 % similar Cyclohexyl carbonochloridate13248-54-941 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Methyl dichloroacetate116-54-1 2,3-Dichloropropionic acid565-64-0 2-Chloroethyl chlorocarbonate627-11-2 2,2-Dichloropropionic acid75-99-0

Elsewhere

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