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

Modify Date: 2025-08-20 20:16:11

3-[3-(4-chlorophenyl)triazol-4-yl]pyridine structure	Common Name	3-[3-(4-chlorophenyl)triazol-4-yl]pyridine
	CAS Number	110684-29-2	Molecular Weight	256.69000
	Density	1.34g/cm3	Boiling Point	460.4ºC at 760mmHg
	Molecular Formula	C₁₃H₉ClN₄	Melting Point	N/A
	MSDS	N/A	Flash Point	232.2ºC

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
InChIKey	VWVOOTWFRFMDJT-UHFFFAOYSA-N
SMILES	Clc1ccc(-n2nncc2-c2cccnc2)cc1

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

3-(1-(4-chlorop...

CAS#:106878-45-9

~85%

3-[3-(4-chlorop...

CAS#:110684-29-2

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

N-(4-chlorophen...

CAS#:41855-64-5

3-[3-(4-chlorop...

CAS#: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

3-Cyanopyridine

CAS#:100-54-9

1-Azido-4-chlor...

CAS#:3296-05-7

3-[3-(4-chlorop...

CAS#:110684-29-2

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

Name: Neurological deficit in mouse measured by rotarod test
Source: ChEMBL
Target: Mus musculus
External Id: CHEMBL744753

Name: Anticonvulsant activity in mice, measured by subcutaneous pentylenetetrazole seizure ...
Source: ChEMBL
Target: Mus musculus
External Id: CHEMBL733646

Name: Anticonvulsant activity in mice, measured by maximal electroshock seizure (MES) test.
Source: ChEMBL
Target: Mus musculus
External Id: CHEMBL732865

Name: Protective index (PI),anticonvulsant activity, ratio of TD50/ED50 value in scMet test
Source: ChEMBL
Target: Mus musculus
External Id: CHEMBL850831

Name: Protective index (PI), anticonvulsant activity, ratio of TD50/ED50 value in maximal e...
Source: ChEMBL
Target: Mus musculus
External Id: CHEMBL850830

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

Names

Chemical & Physical Properties

Toxicological Information

CHEMICAL IDENTIFICATION

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

Synthetic Route

Bioassay

The content on this webpage is sourced from various professional data sources. If you have any questions or concerns regarding the content, please feel free to contact service1@chemsrc.com.