4-(DIMETHYLAMINO)BENZONITRILE Chemical Properties

Melting point:

72-75 °C(lit.)

Boiling point:

318 °C(lit.)

Density 

1.3346 (rough estimate)

refractive index 

1.5600 (estimate)

Flash point:

317-319°C

solubility 

soluble in Methanol

form 

Crystalline Powder

pka

1.61±0.12(Predicted)

color 

Light brown

BRN 

971606

InChI

InChI=1S/C9H10N2/c1-11(2)9-5-3-8(7-10)4-6-9/h3-6H,1-2H3

InChIKey

JYMNQRQQBJIMCV-UHFFFAOYSA-N

SMILES

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

CAS DataBase Reference

1197-19-9(CAS DataBase Reference)

EPA Substance Registry System

Benzonitrile, 4-(dimethylamino)- (1197-19-9)

Safety Information

Hazard Codes 

Xn,Xi

Risk Statements 

22-36/37/38-43

Safety Statements 

26-36/37-36

RIDADR 

3276

WGK Germany 

2

HazardClass 

6.1

PackingGroup 

III

HS Code 

29269090

MSDS

• Language:English Provider:SigmaAldrich
• Language:English Provider:ACROS
• Language:English Provider:ALFA

4-(DIMETHYLAMINO)BENZONITRILE Usage And Synthesis

Chemical Properties

light brown crystalline powder

Uses

4-(Dimethylamino)benzonitrile is used in predicting the carcinogenicity of aromatic amine derivative in UK EMS collaborative study.

Uses

4-(Dimethylamino)benzonitrile can be used in the synthesis of 3,6-diphenyl-2,5-dihydro-pyrrolo[3,4-c]pyrrole-1,4-dione derivatives.

Synthesis Reference(s)

Tetrahedron Letters, 36, p. 4035, 1995 DOI: 10.1016/0040-4039(95)00710-T

General Description

4-(Dimethylamino)benzonitrile is extensively used in photophysical studies due to its ability to undergo intramolecular charge transfer (ICT) from the dimethylamino moiety to the cyanophenyl moiety on photo-excitation leading to the appearance of dual fluorescence.

4-(DIMETHYLAMINO)BENZONITRILE(1197-19-9)Related Product Information

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