chempirical

Chloromethyl chloroformate

C2H2Cl2O2CAS 22128-62-7128.94 g/mol

Open in Covalent MOL file
OClOCl
Acyl halideAlkyl halide

Properties

Molecular formula
C2H2Cl2O2
Molar mass
128.94 g/mol
Exact mass
127.9432 Da
Density
1.456 g/mL (at 15 °C)
Boiling point
107 °C
logP
1.56Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

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

Aggregated from 51 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P403+P233, P405, P501

Identifiers

CAS number
22128-62-7
SMILES
O=C(Cl)OCCl
InChIKey
JYWJULGYGOLCGW-UHFFFAOYSA-N
InChI
InChI=1S/C2H2Cl2O2/c3-1-6-2(4)5/h1H2

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Names and synonyms

7 names
  • Carbonochloridic acid, chloromethyl ester
  • Formic acid, chloro-, chloromethyl ester
  • Chloromethoxycarbonyl chloride
  • Chloromethyl carbonochloridate
  • Chloroformic acid chloromethyl ester
  • Chloromethyl chlorocarbonate
  • 1-Chloromethyl chloroformate

Work with Chloromethyl 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 chlorocarbonate627-11-257 % similar Oxydiethylene chloroformate106-75-252 % similar C,C′-[1,2-Ethanediylbis(oxy-2,1-ethanediyl)] dicarbonochloridate17134-17-752 % similar Ethyl chloroformate541-41-352 % similar 3-Chloropropyl chloroformate628-11-552 % similar Propyl chloroformate109-61-548 % similar 2,2,2-Trichloroethoxycarbonyl chloride17341-93-448 % similar Isobutyl chloroformate543-27-148 % similar

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

Same formula

Dichloroacetic acid79-43-6

Elsewhere

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