4-(DIMETHYLAMINO)BENZONITRILE

4-(DIMETHYLAMINO)BENZONITRILE Basic information

Product Name:	4-(DIMETHYLAMINO)BENZONITRILE
Synonyms:	4-CYANODIMETHYLANILINE;4-(DiMethylaMino)benzonitrile, 95% 25GR;4-(DiMethylaMino)benzonitrile, 95% 5GR;4-(Dimethylamino)benzenecarbonitrile;Benzonitrile, p-(dimethylamino)-;Benzonitrile,4-(dimethylamino)-;N,N-Dimethyl-4-cyanoaniline;N,N-Dimethyl-p-cyanoaniline
CAS:	1197-19-9
MF:	C9H10N2
MW:	146.19
EINECS:	214-819-8
Product Categories:	Aromatic Nitriles;C8 to C9;Cyanides/Nitriles;Nitrogen Compounds
Mol File:	1197-19-9.mol

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)
Fp	317-319°C
solubility	soluble in Methanol
pka	1.61±0.12(Predicted)
form	Crystalline Powder
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 Information

Provider	Language
SigmaAldrich	English
ACROS	English
ALFA	English

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 Preparation Products And Raw materials

Raw materials	Sodium hydroxide-->Hydrochloric acid-->Diethyl ether-->Sodium sulfate-->Acetic anhydride-->Trimethyl phosphate-->4-Aminobenzonitrile-->Benzamide, 4-(dimethylamino)-N,N-dimethyl--->4-(DIMETHYLAMINO)PHENYLACETIC ACID-->4-(DIMETHYLAMINO)BENZYL ALCOHOL-->N-Methoxy-N-Methyl-4-(diMethylaMino)benzaMide-->4-(N-Methylamino)benzonitrile
Preparation Products	4-DIMETHYLAMINO-BENZAMIDINE-->Formamide, N-(4-cyanophenyl)-N-methyl--->3-oxatricyclo[3.2.1.02,4]octane-->4-DIMETHYLAMINOBENZYLAMINE

Benzonitrile, 4-[4-[[3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]carbonyl]-1-piperazinyl]- 4-(3,3-DIMETHYL-2-OXO-1-AZETANYL)BENZENECARBONITRILE SALOR-INT L170208-1EA 4-(3,5-DIOXO-1,4-THIAZINAN-4-YL)BENZENECARBONITRILE 4-[4-(4-METHOXYBENZOYL)PIPERAZINO]BENZENECARBONITRILE 4-(4-[(4-CHLOROPHENYL)SULFONYL]PIPERAZINO)BENZENECARBONITRILE 1-(4-CYANOPHENYL)-PIPERAZINE HYDROCHLORIDE, 98 4-[4-(PHENYLSULFONYL)PIPERAZINO]BENZENECARBONITRILE N-(3-CHLOROPHENYL)-4-(4-CYANOPHENYL)TETRAHYDRO-1(2H)-PYRAZINECARBOXAMIDE 4-(4-[(2,3-DICHLOROPHENYL)SULFONYL]PIPERAZINO)BENZENECARBONITRILE N-(4-CHLOROPHENYL)-4-(4-CYANOPHENYL)TETRAHYDRO-1(2H)-PYRAZINECARBOXAMIDE 4-(3,5-DIOXO-2-PHENYL-1,4-THIAZINAN-4-YL)BENZENECARBONITRILE 4-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzonitrile 4-(4-[(3,4-DICHLOROPHENYL)SULFONYL]PIPERAZINO)BENZENECARBONITRILE 4-(4-[3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]PIPERAZINO)BENZENECARBONITRILE 4-[4-(4-CHLOROBENZOYL)PIPERAZINO]BENZENECARBONITRILE 4-(DIMETHYLAMINO)BENZONITRILE 4-(2-oxo-1,3-oxazolidin-3-yl)benzonitrile

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