1-(Isocyanatomethyl)-2-methylbenzene
Properties
- Molecular formula
- C9H9NO
- Molar mass
- 147.18 g/mol
- Exact mass
- 147.0684 Da
- Density
- 1.0756 g/mL (at 20 °C)
- Boiling point
- 98–99 °C (at 8 Torr)
- 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
- H315 Causes skin irritation100% of notifiers
- H318 Causes serious eye damage100% 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
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
56651-58-2SMILES
Cc1ccccc1CN=C=OInChIKey
VNHPWTGETWKSLP-UHFFFAOYSA-NInChI
InChI=1S/C9H9NO/c1-8-4-2-3-5-9(8)6-10-7-11/h2-5H,6H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
3 names
- Benzene, 1-(isocyanatomethyl)-2-methyl-
- o-Methylbenzyl isocyanate
- 2-Methylbenzyl isocyanate
Work with 1-(Isocyanatomethyl)-2-methylbenzene
Similar compounds
Xylylene diisocyanate25854-16-470 % similar
Benzyl isocyanate3173-56-652 % similar
2-Methylphenyl isocyanate614-68-648 % similar
2-Ethyl-6-methylphenyl isocyanate75746-71-347 % similar
1-(Isocyanatomethyl)-4-methylbenzene56651-57-147 % similar
3-Methylbenzyl isocyanate61924-25-246 % similar
2-Methylphenylacetonitrile22364-68-745 % similar
2,6-Dimethylphenyl isocyanate28556-81-245 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.