(1-Isocyanoethyl)benzene
Properties
- Molecular formula
- C9H9N
- Molar mass
- 131.18 g/mol
- Exact mass
- 131.0735 Da
- logP
- 2.67Crippen estimate
- Polar surface area
- 4.4 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 1
Hazards
Danger
- H227 Combustible liquid50% of notifiers
- H301+H311+H331 Toxic if swallowed, in contact with skin or if inhaled50% of notifiers
- H301 Toxic if swallowed50% of notifiers
- H311 Toxic in contact with skin50% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H331 Toxic if inhaled50% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P370+P378, P403, P403+P233, P405, P501
Identifiers
CAS number
17329-20-3SMILES
CC(C1=CC=CC=C1)[N+]#[C-]InChIKey
KCCAPMXVCPVFEH-UHFFFAOYSA-NInChI
InChI=1S/C9H9N/c1-8(10-2)9-6-4-3-5-7-9/h3-8H,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Work with (1-Isocyanoethyl)benzene
Similar compounds
1,1-Diphenylethane612-00-044 % similar
Cumene98-82-844 % similar
2-Phenyl-1-propanol1123-85-940 % similar
2-Phenylpropanol37778-99-740 % similar
2-Phenyl-1-propanol98103-87-840 % similar
1-Phenylethanol13323-81-439 % similar
(S)-1-Phenylethanol1445-91-639 % similar
(+)-1-Phenylethanol1517-69-739 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.