2,3-Dimethylphenyl isocyanate
Properties
- Molecular formula
- C9H9NO
- Molar mass
- 147.18 g/mol
- Exact mass
- 147.0684 Da
- Boiling point
- 88–90 °C (at 9.5 Torr)
- logP
- 2.27Crippen estimate
- Polar surface area
- 29.4 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 1
Hazards
Danger
- H302 Harmful if swallowed90.9% of notifiers
- H312 Harmful in contact with skin90.9% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H332 Harmful if inhaled90.9% of notifiers
- H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled11.4% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P233, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, P501
Identifiers
CAS number
1591-99-7SMILES
Cc1cccc(N=C=O)c1CInChIKey
KNHJIEOCVVIBIV-UHFFFAOYSA-NInChI
InChI=1S/C9H9NO/c1-7-4-3-5-9(8(7)2)10-6-11/h3-5H,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
3 names
- Benzene, 1-isocyanato-2,3-dimethyl-
- Isocyanic acid, 2,3-xylyl ester
- 1-Isocyanato-2,3-dimethylbenzene
Work with 2,3-Dimethylphenyl isocyanate
Similar compounds
Toluene 2,6-diisocyanate91-08-778 % similar
2-Methylphenyl isocyanate614-68-669 % similar
3-Chloro-2-methylphenyl isocyanate40397-90-866 % similar
2,3-Dimethylphenyl isothiocyanate1539-20-463 % similar
2,6-Dimethylphenyl isocyanate28556-81-260 % similar
1,5-Naphthalene diisocyanate3173-72-653 % similar
Toluene diisocyanate584-84-953 % similar
2-Chloro-6-methylphenyl isocyanate40398-01-451 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.