m-Tolunitrile structure

m-Tolunitrile

3-methylbenzonitrile

CAS: 620-22-4
Molecular Formula C8H7N
Molecular Weight 117.15 g/mol
LogP 2.4
Topological Polar Surface Area 23.8 A2
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
Rotatable Bonds 0
Exact Mass 117.057846
Heavy Atoms 9
Complexity 131.0

Chemical Identifiers

CAS Number 620-22-4
SMILES CC1=CC(=CC=C1)C#N
InChIKey BOHCMQZJWOGWTA-UHFFFAOYSA-N

📖 Product Overview

m-Tolunitrile (CAS: 620-22-4) is a chemical compound with molecular formula C8H7N and molecular weight 117.15 g/mol. Its IUPAC systematic name is 3-methylbenzonitrile. LogP 2.4 Topological Polar Surface Area 23.8 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 1 Rotatable Bonds 0 Exact Mass 117.057846 Heavy Atoms 9 Complexity 131.0 InChI Key: BOHCMQZJWOGWTA-UHFFFAOYSA-N. SMILES: CC1=CC(=CC=C1)C#N.

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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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