3-Methylphenyl isocyanate

C8H7NOCAS 621-29-4133.15 g/mol

NO
Isocyanate

Properties

Molecular formula
C8H7NO
Molar mass
133.15 g/mol
Exact mass
133.0528 Da
Density
1.063 g/mL (at 20 °C)
Boiling point
187.2–187.4 °C
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 74 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
621-29-4
SMILES
Cc1cccc(N=C=O)c1
InChIKey
CPPGZWWUPFWALU-UHFFFAOYSA-N
InChI
InChI=1S/C8H7NO/c1-7-3-2-4-8(5-7)9-6-10/h2-5H,1H3

Weigh it out

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

Names and synonyms

7 names
  • Benzene, 1-isocyanato-3-methyl-
  • Isocyanic acid, m-tolyl ester
  • 1-Isocyanato-3-methylbenzene
  • m-Methylphenyl isocyanate
  • m-Isocyanatotoluene
  • 3-Tolyl isocyanate
  • m-Tolyl isocyanate

Work with 3-Methylphenyl isocyanate

Similar compounds

Tanimoto similarity of circular fingerprints over the whole catalogue.

Same formula

Elsewhere