Benzonitrile,4-(3,3-dimethyl-1-triazen-1-yl)-

Modify Date: 2025-08-25 17:53:50

Benzonitrile,4-(3,3-dimethyl-1-triazen-1-yl)- structure	Common Name	Benzonitrile,4-(3,3-dimethyl-1-triazen-1-yl)-
	CAS Number	23456-95-3	Molecular Weight	174.20200
	Density	1.06g/cm3	Boiling Point	287.9ºC at 760mmHg
	Molecular Formula	C₉H₁₀N₄	Melting Point	N/A
	MSDS	N/A	Flash Point	127.9ºC

Name	4-(dimethylaminodiazenyl)benzonitrile

Density	1.06g/cm3
Boiling Point	287.9ºC at 760mmHg
Molecular Formula	C₉H₁₀N₄
Molecular Weight	174.20200
Flash Point	127.9ºC
Exact Mass	174.09100
PSA	51.75000
LogP	2.11858
Vapour Pressure	0.00242mmHg at 25°C
Index of Refraction	1.559
InChIKey	RBUDTHMFOGHSOD-UHFFFAOYSA-N
SMILES	CN(C)N=Nc1ccc(C#N)cc1

CHEMICAL IDENTIFICATION

RTECS NUMBER :: XX9700000

CHEMICAL NAME :: Triazene, 1-(p-cyanophenyl)-3,3-dimethyl-

CAS REGISTRY NUMBER :: 23456-95-3

LAST UPDATED :: 199410

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C9-H10-N4

MOLECULAR WEIGHT :: 174.23

WISWESSER LINE NOTATION :: NCR DNUNN1&1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 477 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

MUTATION DATA

TYPE OF TEST :: Mutation in microorganisms

TEST SYSTEM :: Bacteria - Salmonella typhimurium

DOSE/DURATION :: 37 umol/L

REFERENCE :: JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 22,473,1979

4-Aminobenzonitrile structure

4-Aminobenzonitrile

CAS#:873-74-5

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Benzonitrile,4-(3,3-dimethyl-1-triazen-1-yl)- Structure

Benzonitrile,4-...

CAS#:23456-95-3

Literature: Kaupp, Gerd; Herrmann, Andreas Advanced Synthesis and Catalysis, 1997 , vol. 339, # 3 p. 256 - 260

Precursor 1
CAS#:873-74-5 4-Aminobenzonitrile
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