4-Methylphenyl isocyanate

C8H7NOCAS 622-58-2133.15 g/mol

NO
Isocyanate

Properties

Molecular formula
C8H7NO
Molar mass
133.15 g/mol
Exact mass
133.0528 Da
Melting point
155–156 °C
Boiling point
71–72 °C (at 13 Torr)
logP
1.96Crippen estimate
Polar surface area
29.4 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

Danger
Corrosive (GHS05)Acute Toxic (GHS06)Irritant (GHS07)Health Hazard (GHS08)Environmental Hazard (GHS09)

Aggregated from 109 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P233, P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P284, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P320, P321, P330, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P363, P391, P403, P403+P233, P405, P501

Identifiers

CAS number
622-58-2
SMILES
Cc1ccc(N=C=O)cc1
InChIKey
MGYGFNQQGAQEON-UHFFFAOYSA-N
InChI
InChI=1S/C8H7NO/c1-7-2-4-8(5-3-7)9-6-10/h2-5H,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

8 names
  • Benzene, 1-isocyanato-4-methyl-
  • Isocyanic acid, p-tolyl ester
  • 1-Isocyanato-4-methylbenzene
  • p-Tolyl isocyanate
  • p-Methylphenyl isocyanate
  • 4-Tolyl isocyanate
  • 4-Isocyanatotoluene
  • p-Isocyanatotoluene

Work with 4-Methylphenyl isocyanate

Similar compounds

Tanimoto similarity of circular fingerprints over the whole catalogue.

Same formula

Elsewhere