Trichloroacetyl isocyanate
Properties
- Molecular formula
- C3Cl3NO2
- Molar mass
- 188.39 g/mol
- Exact mass
- 186.8995 Da
- Melting point
- 135–140 °C
- Boiling point
- 80–85 °C (at 20 Torr)
- logP
- 1.22Crippen estimate
- Polar surface area
- 46.5 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 0
Hazards
Danger
- H311 Toxic in contact with skin87% of notifiers
- H314 Causes severe skin burns and eye damage97.8% of notifiers
- H331 Toxic if inhaled89.1% of notifiers
- H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled100% of notifiers
Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P233, P260, P261, P262, P264, P270, P271, P280, P284, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P342+P316, P361+P364, P363, P403, P403+P233, P405, P501
Identifiers
CAS number
3019-71-4SMILES
O=C=NC(=O)C(Cl)(Cl)ClInChIKey
GRNOZCCBOFGDCL-UHFFFAOYSA-NInChI
InChI=1S/C3Cl3NO2/c4-3(5,6)2(9)7-1-8Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
6 names
- Acetyl isocyanate, 2,2,2-trichloro-
- Acetyl isocyanate, trichloro-
- Acetic acid, trichloro-, anhydride with isocyanic acid
- Isocyanic acid, anhydride with trichloroacetic acid
- 2,2,2-Trichloroacetyl isocyanate
- α,α,α-Trichloroacetyl isocyanate
Work with Trichloroacetyl isocyanate
Similar compounds
Trichloromethyl isocyanate30121-98-335 % similar
Hexachloroacetone116-16-533 % similar
Benzoyl isocyanate4461-33-031 % similar
Trichloroacetyl chloride76-02-831 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.