110684-29-2

110684-29-2 structure

110684-29-2 structure

Name: 3-[3-(4-chlorophenyl)triazol-4-yl]pyridine
Chemical Name: 3-[3-(4-chlorophenyl)triazol-4-yl]pyridine
CAS Number: 110684-29-2
Molecular Formula: C₁₃H₉ClN₄
Molecular Weight: 256.69000
Create Date: 2016-03-05 23:16:48
Modify Date: 2024-01-16 20:23:04

Name	3-[3-(4-chlorophenyl)triazol-4-yl]pyridine

Density	1.34g/cm3
Boiling Point	460.4ºC at 760mmHg
Molecular Formula	C₁₃H₉ClN₄
Molecular Weight	256.69000
Flash Point	232.2ºC
Exact Mass	256.05200
PSA	43.60000
LogP	2.98270
Vapour Pressure	1.17E-08mmHg at 25°C
Index of Refraction	1.685

CHEMICAL IDENTIFICATION

RTECS NUMBER :: US7225500

CHEMICAL NAME :: Pyridine, 3-(1-(4-chlorophenyl)-1H-1,2,3-triazol-5-yl)-

CAS REGISTRY NUMBER :: 110684-29-2

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C13-H9-Cl-N4

MOLECULAR WEIGHT :: 256.71

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 :: 569 mg/kg

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

REFERENCE :: USXXAM United States Patent Document. (U.S. Patent Office, Box 9, Washington, DC 20231) Volume(issue)/page/year: #4610994

106878-45-9 structure

106878-45-9

~85%

110684-29-2 structure

110684-29-2

Literature: Kadaba, Pankaja Journal of Medicinal Chemistry, 1988 , vol. 31, # 1 p. 196 - 203

41855-64-5 structure

41855-64-5

~%

110684-29-2 structure

110684-29-2

Literature: Kadaba, Pankaja K.; Parmley, Gordon; Crooks, Peter A.; Agha, Bushra Journal of Heterocyclic Chemistry, 1993 , vol. 30, # 5 p. 1191 - 1196

100-54-9 structure

100-54-9

3296-05-7 structure

3296-05-7

~%

110684-29-2 structure

110684-29-2

Literature: Irie, Takayuki; Fujii, Ikuo; Sawa, Masaaki Bioorganic and Medicinal Chemistry Letters, 2012 , vol. 22, # 1 p. 591 - 596