4-Chlorophenyl isocyanate
Properties
- Molecular formula
- C7H4ClNO
- Molar mass
- 153.56 g/mol
- Exact mass
- 152.9981 Da
- Melting point
- 30–31 °C
- Boiling point
- 115–117 °C (at 45 Torr)
- Flash point
- 110 °C
- logP
- 2.31Crippen estimate
- Polar surface area
- 29.4 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 1
Hazards
Danger
- H302 Harmful if swallowedAcute toxicity, oral
- H315 Causes skin irritationSkin corrosion/irritation
- H318 Causes serious eye damageSerious eye damage/eye irritation
- H330 Fatal if inhaledAcute toxicity, inhalation
- H334 May cause allergy or asthma symptoms or breathing difficulties if inhaledSensitization, respiratory
- H335 May cause respiratory irritationSpecific target organ toxicity, single exposure; Respiratory tract irritation
- H400 Very toxic to aquatic lifeHazardous to the aquatic environment, acute hazard
- H410 Very toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard
Harmonised EU classification (CLP Annex VI, index 615-044-00-1), via PubChem.
Precautionary statements
P233, P260, P261, P264, P264+P265, P270, P271, P273, P280, P284, P301+P317, P302+P352, P304+P340, P305+P354+P338, P316, P317, P319, P320, P321, P330, P332+P317, P342+P316, P362+P364, P391, P403, P403+P233, P405, P501
Identifiers
CAS number
104-12-1SMILES
O=C=Nc1ccc(Cl)cc1InChIKey
ADAKRBAJFHTIEW-UHFFFAOYSA-NInChI
InChI=1S/C7H4ClNO/c8-6-1-3-7(4-2-6)9-5-10/h1-4HWeigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
8 names
- Benzene, 1-chloro-4-isocyanato-
- Isocyanic acid, p-chlorophenyl ester
- 1-Chloro-4-isocyanatobenzene
- p-Chlorophenyl isocyanate
- 4-Chloroisocyanatobenzene
- 1-Isocyanato-4-chlorobenzene
- NSC 76589
- 4-Chloro-1-isocyanatobenzene
Work with 4-Chlorophenyl isocyanate
Similar compounds
p-Phenylene diisocyanate104-49-475 % similar
3,5-Dichlorophenyl isocyanate34893-92-060 % similar
Phenyl isocyanate103-71-958 % similar
Methylene diphenyl diisocyanate101-68-858 % similar
4-Fluorophenyl isocyanate1195-45-558 % similar
4-Chlorophenyl isothiocyanate2131-55-758 % similar
4,4′,4′′-Triphenylmethane triisocyanate2422-91-558 % similar
4-Bromophenyl isocyanate2493-02-958 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds