3-Methylbenzyl isocyanate
Properties
- Molecular formula
- C9H9NO
- Molar mass
- 147.18 g/mol
- Exact mass
- 147.0684 Da
- logP
- 1.83Crippen estimate
- Polar surface area
- 29.4 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 2
Hazards
Warning
- H302 Harmful if swallowed100% of notifiers
- H312 Harmful in contact with skin100% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H332 Harmful if inhaled100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
61924-25-2SMILES
CC1=CC(=CC=C1)CN=C=OInChIKey
JCUQBSLBFAVVOS-UHFFFAOYSA-NInChI
InChI=1S/C9H9NO/c1-8-3-2-4-9(5-8)6-10-7-11/h2-5H,6H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Work with 3-Methylbenzyl isocyanate
Similar compounds
m-Xylylene diisocyanate3634-83-172 % similar
Benzyl isocyanate3173-56-663 % similar
1-(Isocyanatomethyl)-4-methylbenzene56651-57-163 % similar
3-Methylphenyl isocyanate621-29-453 % similar
3,4-Dichlorobenzyl isocyanate19752-09-153 % similar
1-Ethyl-3-methylbenzene620-14-448 % similar
(3-Methylphenyl)acetonitrile2947-60-647 % similar
3-Methylbenzylamine100-81-247 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.