2,4,6-Trimethylphenylacetonitrile
Properties
- Molecular formula
- C11H13N
- Molar mass
- 159.23 g/mol
- Exact mass
- 159.1048 Da
- Melting point
- 79 °C
- Boiling point
- 150–155 °C (at 15 Torr)
- logP
- 2.68Crippen estimate
- Polar surface area
- 23.8 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 1
Hazards
Warning
- H302 Harmful if swallowed97.8% of notifiers
- H312 Harmful in contact with skin97.8% of notifiers
- H332 Harmful if inhaled95.6% of notifiers
Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, P501
Identifiers
CAS number
34688-71-6SMILES
Cc1cc(C)c(CC#N)c(C)c1InChIKey
SDKQOGSGNPGPRN-UHFFFAOYSA-NInChI
InChI=1S/C11H13N/c1-8-6-9(2)11(4-5-12)10(3)7-8/h6-7H,4H2,1-3H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
9 names
- 2,4,6-Trimethylbenzeneacetonitrile
- (2,4,6-Trimethylphenyl)acetonitrile
- Benzeneacetonitrile, 2,4,6-trimethyl-
- Acetonitrile, mesityl-
- 2,4,6-Trimethylbenzyl cyanide
- Mesitylacetonitrile
- 2-(2,4,6-Trimethylphenyl)ethanenitrile
- 2-Mesitylacetonitrile
- 2-(2,4,6-Trimethylphenyl)acetonitrile
Work with 2,4,6-Trimethylphenylacetonitrile
Similar compounds
(3-Cyanomethyl-5-methylphenyl)acetonitrile120511-74-259 % similar
3,5-Dimethylbenzeneacetonitrile39101-54-759 % similar
1,3,5-Trimethyl-2-((2,4,6-trimethylphenyl)methyl)benzene733-07-354 % similar
2,5-Dimethylbenzeneacetonitrile16213-85-753 % similar
2,4,6-Trimethylbenzyl chloride1585-16-648 % similar
2,4,6-Trimethylbenzenemethanethiol21411-42-748 % similar
2,4,6-Trimethylbenzonitrile2571-52-048 % similar
2,4,6-Trimethylbenzyl alcohol4170-90-548 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds