Phosgene

CCl2OCAS 75-44-598.91 g/mol

Open in Covalent MOL file
OClCl
Acyl halide

Properties

Molecular formula
CCl2O
Molar mass
98.91 g/mol
Exact mass
97.9326 Da
Density
1.3719 g/mL (at 25 °C)
Melting point
−118 °C
Boiling point
8.2 °C
Water solubility
slightly soluble
logP
1.58Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Hazards

Danger
Compressed Gas (GHS04)Corrosive (GHS05)Acute Toxic (GHS06)

Harmonised EU classification (CLP Annex VI, index 006-002-00-8), via PubChem.

Precautionary statements

P260, P264, P271, P280, P284, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P320, P321, P363, P403+P233, P405, P501

Identifiers

CAS number
75-44-5
SMILES
O=C(Cl)Cl
InChIKey
YGYAWVDWMABLBF-UHFFFAOYSA-N
InChI
InChI=1S/CCl2O/c2-1(3)4

Weigh it out

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Names and synonyms

9 names
  • Carbonic dichloride
  • CG
  • Chloroformyl chloride
  • Carbon oxychloride
  • Carbonyl chloride
  • Carbonyl dichloride
  • Phosgen
  • Carbon dichloride oxide
  • Dichloroformaldehyde

Work with Phosgene

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

Oxalyl chloride79-37-838 % similar Chloranil118-75-233 % similar Trifluoroacetyl chloride354-32-533 % similar Malonyl chloride1663-67-831 % similar O-Chloranil2435-53-231 % similar Succinyl chloride543-20-431 % similar Fumaryl chloride627-63-431 % similar Acetyl chloride75-36-531 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia