3-Aminobenzonitrile Chemical Properties

Melting point:

48-53 °C(lit.)

Boiling point:

288-290 °C

Density 

1.5511 (rough estimate)

refractive index 

1.5500 (estimate)

Flash point:

112 °C

solubility 

soluble in Methanol

form 

Crystalline Solid

pka

2.75(at 25℃)

color 

Brown

BRN 

636498

InChI

InChI=1S/C7H6N2/c8-5-6-2-1-3-7(9)4-6/h1-4H,9H2

InChIKey

NJXPYZHXZZCTNI-UHFFFAOYSA-N

SMILES

C(#N)C1=CC=CC(N)=C1

CAS DataBase Reference

2237-30-1(CAS DataBase Reference)

NIST Chemistry Reference

Benzonitrile, 3-amino-(2237-30-1)

Safety Information

Hazard Codes 

Xn,Xi

Risk Statements 

20/21/22-43-22-36/37/38

Safety Statements 

36/37-36-26

RIDADR 

3276

WGK Germany 

3

RTECS 

DI2454000

Hazard Note 

Harmful

HazardClass 

6.1

PackingGroup 

III

HS Code 

29214200

MSDS

• Language:English Provider:m-Cyanoaniline
• Language:English Provider:SigmaAldrich
• Language:English Provider:ACROS
• Language:English Provider:ALFA

3-Aminobenzonitrile Usage And Synthesis

Chemical Properties

BROWN CRYSTALLINE SOLID

Uses

3-Aminobenzonitrile was used in the synthesis of series of 1-substituted-3(5)-(6-methylpyridin-2-yl)-4-(quinoxalin-6-yl)pyrazoles. It was also used in the preparation of highly substituted γ-lactam analogues of a thiazolidinone follicle stimulating hormone receptor agonist.

General Description

3-Aminobenzonitrile on condensation reaction with 4-isothiocyanato-4-methyl pentane-2-one gives condensed monocyclic pyrimidine derivatives.

3-Aminobenzonitrile(2237-30-1)Related Product Information

• Benzonitrile
• 3-Aminophenol
• Metanilic acid
• 3-Aminobenzaldehyde
• 3-Aminophenylurea
• EC 2.6.1.2
• 3-Aminobenzoic acid
• 2-Cyanophenol
• Acetaminophen
• 4-Nitrobenzonitrile
• 3-Aminophenylacetic acid
• p-Tolunitrile
• 3-Aminopyridine
• 3-Aminoacetophenone
• 3-Aminobenzotrifluoride
• m-Anisidine
• 4-Aminobenzonitrile
• 3,5-Dinitrobenzonitrile