m-Tolunitrile (C8H7N)

m-Tolunitrile (C8H7N; CAS 620-22-4) is a practical retrosynthesis target. m-Tolunitrile presents a C8 framework, aromatic rings, basic nitrogen. Open AI route search in one click below.

Target: m-Tolunitrile
CAS: 620-22-4
Formula: C8H7N
Approx. MW: 117.15
SMILES: Cc1cccc(C#N)c1
PubChem CID: 12104
Approx. carbons: C8

m-Tolunitrile structure

Properties

IUPAC name: 3-methylbenzonitrile
Common names: m-Tolunitrile; 3-METHYLBENZONITRILE; 620-22-4; m-Cyanotoluene; 3-Cyanotoluene; Benzonitrile, 3-methyl-; 3-Tolunitrile; m-Toluonitrile; m-Methylbenzonitrile; m-Toluenenitrile
Molecular weight: 117.15
Exact mass: 117.06
InChIKey: BOHCMQZJWOGWTA-UHFFFAOYSA-N
Melting point: -9 °F (NTP, 1992)
Boiling point: 415 °F at 760 mmHg (NTP, 1992)
Density: 1.0316 at 68 °F (NTP, 1992) - Denser than water; will sink

View on PubChem

m-Tolunitrile 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of m-Tolunitrile?

m-Tolunitrile has molecular formula C8H7N. Molecular weight about 117.15 g·mol⁻¹.

What is the CAS number of m-Tolunitrile?

The CAS Registry Number for m-Tolunitrile is 620-22-4.

Run AI retrosynthesis for m-Tolunitrile Target catalog AI tools overview

One click loads m-Tolunitrile into ChemicalTool Reaction for route exploration.

Related targets

Similar compounds

o-Tolunitrile p-Tolunitrile Phenylacetonitrile (Pentafluorophenyl)acetonitrile 1-(4-Fluorophenyl)ethylamine 1-Phenylethanamine

Browse the full target catalog

References & tools

ChemicalTool Reaction — AI retrosynthesis with optional library evidence.
PubChem — compound identifiers and structure depictions (NIH/NCBI).
Related: AiZynthFinder / synthesis planning literature for computer-aided retrosynthesis.