4-(DIMETHYLAMINO)BENZONITRILE Property

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

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

Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H302Harmful if swallowed

H315Causes skin irritation

H317May cause an allergic skin reaction

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P301+P312IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.

P302+P352IF ON SKIN: wash with plenty of soap and water.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

4-(DIMETHYLAMINO)BENZONITRILE Chemical Properties,Usage,Production

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.