4-Methylphenyl 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
- H302 Harmful if swallowed99.1% of notifiers
- H312 Harmful in contact with skin37.6% of notifiers
- H314 Causes severe skin burns and eye damage57.8% of notifiers
- H315 Causes skin irritation42.2% of notifiers
- H317 May cause an allergic skin reaction57.8% of notifiers
- H318 Causes serious eye damage57.8% of notifiers
- H319 Causes serious eye irritation42.2% of notifiers
- H330 Fatal if inhaled60.6% of notifiers
- H332 Harmful if inhaled37.6% of notifiers
- H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled43.1% of notifiers
- H335 May cause respiratory irritation100% of notifiers
- H400 Very toxic to aquatic life56.9% of notifiers
- H410 Very toxic to aquatic life with long lasting effects33.9% of notifiers
- H411 Toxic to aquatic life with long lasting effects22.9% of notifiers
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
622-58-2SMILES
Cc1ccc(N=C=O)cc1InChIKey
MGYGFNQQGAQEON-UHFFFAOYSA-NInChI
InChI=1S/C8H7NO/c1-7-2-4-8(5-3-7)9-6-10/h2-5H,1H3Weigh 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
p-Phenylene diisocyanate104-49-471 % similar
3,5-Dimethylphenyl isocyanate54132-75-162 % similar
3-Methylphenyl isocyanate621-29-461 % similar
4-Chlorophenyl isocyanate104-12-158 % similar
Phenyl isocyanate103-71-956 % similar
Methylene diphenyl diisocyanate101-68-856 % similar
4-Fluorophenyl isocyanate1195-45-556 % similar
4,4′,4′′-Triphenylmethane triisocyanate2422-91-556 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.