Benzoyl isocyanate
Properties
- Molecular formula
- C8H5NO2
- Molar mass
- 147.13 g/mol
- Exact mass
- 147.0320 Da
- Boiling point
- 82–84 °C (at 10 Torr)
- logP
- 1.16Crippen estimate
- Polar surface area
- 46.5 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 1
Hazards
Danger
- H302 Harmful if swallowed100% of notifiers
- H312 Harmful in contact with skin90.7% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H332 Harmful if inhaled100% of notifiers
- H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled11.6% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P233, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, P501
Identifiers
CAS number
4461-33-0SMILES
O=C=NC(=O)c1ccccc1InChIKey
LURYMYITPCOQAU-UHFFFAOYSA-NInChI
InChI=1S/C8H5NO2/c10-6-9-8(11)7-4-2-1-3-5-7/h1-5HWeigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
4 names
- Benzoic acid, anhydride with isocyanic acid
- Benzoic acid, anhydride with HNCO
- Isocyanic acid, anhydride with benzoic acid
- NSC 246191
Work with Benzoyl isocyanate
Similar compounds
Benzoyl isothiocyanate532-55-861 % similar
2,6-Difluorobenzoyl isocyanate60731-73-950 % similar
Phenyl isocyanate103-71-943 % similar
1,4-Diphenyl-2-butene-1,4-dione4070-75-143 % similar
Diphenylketene525-06-443 % similar
trans-1,2-Dibenzoylethylene959-28-443 % similar
Benzophenone119-61-942 % similar
Benzil134-81-642 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds