4-Chlorophenyl isocyanate

C7H4ClNOCAS 104-12-1153.56 g/mol

ONCl
Aryl halideIsocyanate

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
Corrosive (GHS05)Acute Toxic (GHS06)Health Hazard (GHS08)Environmental Hazard (GHS09)

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
104-12-1
SMILES
O=C=Nc1ccc(Cl)cc1
InChIKey
ADAKRBAJFHTIEW-UHFFFAOYSA-N
InChI
InChI=1S/C7H4ClNO/c8-6-1-3-7(4-2-6)9-5-10/h1-4H

Weigh 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

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Elsewhere