3,5-Dimethylphenyl isocyanate
Properties
- Molecular formula
- C9H9NO
- Molar mass
- 147.18 g/mol
- Exact mass
- 147.0684 Da
- logP
- 2.27Crippen estimate
- Polar surface area
- 29.4 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 1
Hazards
Danger
- H301 Toxic if swallowed10.4% of notifiers
- H302 Harmful if swallowed89.6% of notifiers
- H312 Harmful in contact with skin89.6% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H332 Harmful if inhaled89.6% of notifiers
- H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled10.4% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 48 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+P316, 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
54132-75-1SMILES
Cc1cc(C)cc(N=C=O)c1InChIKey
DZSGDHNHQAJZCO-UHFFFAOYSA-NInChI
InChI=1S/C9H9NO/c1-7-3-8(2)5-9(4-7)10-6-11/h3-5H,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
5 names
- Benzene, 1-isocyanato-3,5-dimethyl-
- 1-Isocyanato-3,5-dimethylbenzene
- 3,5-Xylylisocyanate
- 3,5-Dimethyl-1-isocyanatobenzene
- 3,5-Xylyl isocyanate
Work with 3,5-Dimethylphenyl isocyanate
Similar compounds
3-Methylphenyl isocyanate621-29-467 % similar
4-Methylphenyl isocyanate622-58-262 % similar
3,5-Dimethylphenyl isothiocyanate40046-30-856 % similar
3,5-Dichlorophenyl isocyanate34893-92-052 % similar
p-Phenylene diisocyanate104-49-450 % similar
1,3-Diisocyanatobenzene123-61-550 % similar
2,5-Dimethylphenyl isocyanate40397-98-647 % similar
Toluene diisocyanate584-84-947 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.