1-(Isocyanatomethyl)-4-methylbenzene
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
Danger
- 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
- H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 40 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
56651-57-1SMILES
CC1=CC=C(C=C1)CN=C=OInChIKey
KNYDWDHLGFMGCO-UHFFFAOYSA-NInChI
InChI=1S/C9H9NO/c1-8-2-4-9(5-3-8)6-10-7-11/h2-5H,6H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- 4-Methylbenzyl isocyanate
Work with 1-(Isocyanatomethyl)-4-methylbenzene
Similar compounds
3-Methylbenzyl isocyanate61924-25-263 % similar
Benzyl isocyanate3173-56-661 % similar
1-Fluoro-4-(isocyanatomethyl)benzene132740-43-360 % similar
1-(Isothiocyanatomethyl)-4-methylbenzene3694-46-060 % similar
4-Methoxybenzyl isocyanate56651-60-659 % similar
m-Xylylene diisocyanate3634-83-153 % similar
3,4-Dichlorobenzyl isocyanate19752-09-150 % similar
4-Methylphenyl isocyanate622-58-250 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.