2,4,6-Trimethylbenzonitrile structure

2,4,6-Trimethylbenzonitrile

2,4,6-trimethylbenzonitrile

Also Known As: 2,4,6-Trimethylbenzonitrile|Mesitonitrile|Cyanomesitylene|Mesitylnitrile|Cyanmesitylen|Mesityl cyanide|Benzonitrile, 2,4,6-trimethyl-|.beta.-Isodurylonitrile|ss--Isodurylonitrile|2,4,6-trimethyl-benzonitrile|ACMC-1CEE4|2,4,6-Trimethylbenzonitrle|Benzonitrile,2,4,6-trimethyl-|2-Cyano-1,3,5-trimethylbenzene|1-Cyano-2,4,6-trimethylbenzene|2,4,6-trimethylbenzenecarbonitrile|ACN-S004026|AC7717|TN9596|2,4,6-Trimethylbenzene-1-carbonitrile|CS-W016362|FR-0627|PS-8961

CAS: 2571-52-0
Molecular Formula C10H11N
Molecular Weight 145.08914 g/mol
LogP 2.7
Topological Polar Surface Area 23.8 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
Rotatable Bonds 0
Exact Mass 145.08914
Monoisotopic Mass 145.08914
Heavy Atoms 11
Complexity 165.0

Chemical Identifiers

CAS Number 2571-52-0
SMILES CC1=CC(=C(C(=C1)C)C#N)C
InChIKey SNIZBGQMWRHNDY-UHFFFAOYSA-N

Patent-Derived Application Labels

Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.

Heterocyclic Building Blocks (14 patents) Organic Building Blocks (15 patents) Pharmaceutical Intermediates (18 patents)

Product Overview

2,4,6-Trimethylbenzonitrile (CAS 2571-52-0), with molecular formula C10H11N and molecular weight 145.08914 g/mol. IUPAC: 2,4,6-trimethylbenzonitrile.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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