Trichloromethyl isocyanate
Properties
- Molecular formula
- C2Cl3NO
- Molar mass
- 160.38 g/mol
- Exact mass
- 158.9045 Da
- logP
- 1.65Crippen estimate
- Polar surface area
- 29.4 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 0
Hazards
Danger
- H301 Toxic if swallowed100% of notifiers
- H311 Toxic in contact with skin88.6% of notifiers
- H314 Causes severe skin burns and eye damage100% of notifiers
- H331 Toxic if inhaled90.9% of notifiers
- H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled13.6% of notifiers
Aggregated from 44 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+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P342+P316, P361+P364, P363, P403, P403+P233, P405, P501
Identifiers
CAS number
30121-98-3SMILES
C(=NC(Cl)(Cl)Cl)=OInChIKey
OXBFBRZWBIXFGO-UHFFFAOYSA-NInChI
InChI=1S/C2Cl3NO/c3-2(4,5)6-1-7Weigh it out
Type any one amount. The others follow from the molar mass.
Work with Trichloromethyl isocyanate
Similar compounds
tert-Butyl isocyanate1609-86-543 % similar
Trichloroacetyl isocyanate3019-71-435 % similar
1-Isocyanatoadamantane4411-25-035 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.