(3-Cyanomethyl-5-methylphenyl)acetonitrile
Properties
- Molecular formula
- C11H10N2
- Molar mass
- 170.22 g/mol
- Exact mass
- 170.0844 Da
- Melting point
- 73 °C
- Boiling point
- 224–225 °C (at 14 Torr)
- logP
- 2.13Crippen estimate
- Polar surface area
- 47.6 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 2
Hazards
Danger
- H301+H311+H331 Toxic if swallowed, in contact with skin or if inhaled25% of notifiers
- H301 Toxic if swallowed100% of notifiers
- H311 Toxic in contact with skin25% of notifiers
- H315 Causes skin irritation25% of notifiers
- H317 May cause an allergic skin reaction75% of notifiers
- H319 Causes serious eye irritation25% of notifiers
- H331 Toxic if inhaled25% of notifiers
Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P262, P264, P264+P265, P270, P271, P272, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P321, P330, P332+P317, P333+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
120511-74-2SMILES
Cc1cc(CC#N)cc(CC#N)c1InChIKey
XJCXEUYJQHPEAE-UHFFFAOYSA-NInChI
InChI=1S/C11H10N2/c1-9-6-10(2-4-12)8-11(7-9)3-5-13/h6-8H,2-3H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
3 names
- 1,3-Benzenediacetonitrile, 5-methyl-
- 5-Methyl-1,3-benzenediacetonitrile
- 5-Methylbenzene-1,3-diacetonitrile
Work with (3-Cyanomethyl-5-methylphenyl)acetonitrile
Similar compounds
3,5-Dimethylbenzeneacetonitrile39101-54-790 % similar
(3-Methylphenyl)acetonitrile2947-60-667 % similar
4-Methylphenylacetonitrile2947-61-764 % similar
2,4,6-Trimethylphenylacetonitrile34688-71-659 % similar
1,3-Benzenediacetonitrile626-22-256 % similar
1,4-Benzenediacetonitrile622-75-352 % similar
3,5-Difluorophenylacetonitrile122376-76-552 % similar
3,5-Dimethoxyphenylacetonitrile13388-75-552 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds