3-Bromophenyl isocyanate
Properties
- Molecular formula
- C7H4BrNO
- Molar mass
- 198.02 g/mol
- Exact mass
- 196.9476 Da
- Boiling point
- 73.5 °C (at 6 Torr)
- logP
- 2.42Crippen estimate
- Polar surface area
- 29.4 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 1
Hazards
Danger
- H302 Harmful if swallowed88.9% of notifiers
- H312 Harmful in contact with skin88.9% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H332 Harmful if inhaled88.9% of notifiers
- H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled15.6% of notifiers
- H335 May cause respiratory irritation97.8% of notifiers
Aggregated from 45 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
23138-55-8SMILES
O=C=Nc1cccc(Br)c1InChIKey
VQVBCZQTXSHJGF-UHFFFAOYSA-NInChI
InChI=1S/C7H4BrNO/c8-6-2-1-3-7(4-6)9-5-10/h1-4HWeigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
6 names
- Benzene, 1-bromo-3-isocyanato-
- Isocyanic acid, m-bromophenyl ester
- 1-Bromo-3-isocyanatobenzene
- m-Bromophenyl isocyanate
- 1-Isocyanato-3-bromobenzene
- 3-Isocyanatobromobenzene
Work with 3-Bromophenyl isocyanate
Similar compounds
1,3-Diisocyanatobenzene123-61-568 % similar
3-Bromophenyl isothiocyanate2131-59-163 % similar
3-Chlorophenyl isocyanate2909-38-857 % similar
3-Fluorophenyl isocyanate404-71-757 % similar
Phenyl isocyanate103-71-956 % similar
3-Methylphenyl isocyanate621-29-455 % similar
3-Isocyanatobenzonitrile16413-26-652 % similar
p-Phenylene diisocyanate104-49-450 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.