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Retrosynthesis · AI + evidence

p-Tolunitrile (C8H7N)

p-Tolunitrile (C8H7N; CAS 104-85-8) is a practical retrosynthesis target. p-Tolunitrile presents a C8 framework, aromatic rings, basic nitrogen. Open AI route search in one click below.

Target
p-Tolunitrile
CAS
104-85-8
Formula
C8H7N
Approx. MW
117.15
SMILES
Cc1ccc(C#N)cc1
PubChem CID
7724
Approx. carbons
C8

p-Tolunitrile structure

Properties

IUPAC name
4-methylbenzonitrile
Common names
p-Tolunitrile; 4-METHYLBENZONITRILE; 104-85-8; 4-Cyanotoluene; 4-Tolunitrile; p-Cyanotoluene; p-Methylbenzonitrile; Benzonitrile, 4-methyl-; p-Toluonitrile; p-Tolylnitrile
Molecular weight
117.15
Exact mass
117.06
InChIKey
VCZNNAKNUVJVGX-UHFFFAOYSA-N
Melting point
85.1 °F (NTP, 1992)
Boiling point
423.7 °F at 760 mmHg (NTP, 1992)
Density
0.9805 at 86 °F (NTP, 1992) - Less dense than water; will float

View on PubChem

p-Tolunitrile 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of p-Tolunitrile?

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

What is the CAS number of p-Tolunitrile?

The CAS Registry Number for p-Tolunitrile is 104-85-8.

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

Open the planner with p-Tolunitrile preloaded, then keep routes that match CAS 104-85-8.

Related targets

Similar compounds

m-Tolunitrileo-TolunitrilePhenylacetonitrile(Pentafluorophenyl)acetonitrile1-(4-Fluorophenyl)ethylamine1-Phenylethanamine

Browse the full target catalog

References & tools