o-Tolunitrile (C8H7N)

o-Tolunitrile presents a C8 framework, aromatic rings, basic nitrogen (formula C8H7N, CAS 529-19-1). ChemicalTool Reaction can propose ranked disconnections for o-Tolunitrile from the SMILES Cc1ccccc1C#N.

Target: o-Tolunitrile
CAS: 529-19-1
Formula: C8H7N
Approx. MW: 117.15
SMILES: Cc1ccccc1C#N
PubChem CID: 10721
Approx. carbons: C8

o-Tolunitrile structure

Properties

IUPAC name: 2-methylbenzonitrile
Common names: o-Tolunitrile; 2-METHYLBENZONITRILE; 529-19-1; 2-Cyanotoluene; o-Cyanotoluene; o-Methylbenzonitrile; 2-Tolunitrile; o-Tolylnitrile; 2-Methylbenzenecarbonitrile; o-Toluic nitrile
Molecular weight: 117.15
Exact mass: 117.06
InChIKey: NWPNXBQSRGKSJB-UHFFFAOYSA-N
Melting point: 7.7 °F (NTP, 1992)
Boiling point: 401 °F at 760 mmHg (NTP, 1992)
Density: 0.9955 at 68 °F (NTP, 1992) - Less dense than water; will float

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o-Tolunitrile 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of o-Tolunitrile?

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

What is the CAS number of o-Tolunitrile?

The CAS Registry Number for o-Tolunitrile is 529-19-1.

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

Open the planner with o-Tolunitrile preloaded, then keep routes that match CAS 529-19-1.

Related targets

Similar compounds

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

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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.