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HomeProduct name list4-(DIMETHYLAMINO)BENZONITRILE

4-(DIMETHYLAMINO)BENZONITRILE

Synonym(s):4-Cyano-N,N-dimethylaniline;DMABN

  • CAS NO.:1197-19-9
  • Empirical Formula: C9H10N2
  • Molecular Weight: 146.19
  • MDL number: MFCD00001815
  • EINECS: 214-819-8
  • SAFETY DATA SHEET (SDS)
  • Update Date: 2023-04-23 13:52:06
4-(DIMETHYLAMINO)BENZONITRILE Structural

What is 4-(DIMETHYLAMINO)BENZONITRILE?

Chemical properties

light brown crystalline powder

The Uses of 4-(DIMETHYLAMINO)BENZONITRILE

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

The Uses of 4-(DIMETHYLAMINO)BENZONITRILE

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.

Properties of 4-(DIMETHYLAMINO)BENZONITRILE

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
CAS DataBase Reference 1197-19-9(CAS DataBase Reference)
EPA Substance Registry System Benzonitrile, 4-(dimethylamino)- (1197-19-9)

Safety information for 4-(DIMETHYLAMINO)BENZONITRILE

Signal word Warning
Pictogram(s)
ghs
Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H302:Acute toxicity,oral
H315:Skin corrosion/irritation
H317:Sensitisation, Skin
H319:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P302+P352:IF ON SKIN: wash with plenty of soap and water.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

Computed Descriptors for 4-(DIMETHYLAMINO)BENZONITRILE

InChIKey JYMNQRQQBJIMCV-UHFFFAOYSA-N
SMILES C(#N)C1=CC=C(N(C)C)C=C1

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