5-(4-chlorophenyl)-2-ethyl-4-methyl-1,2,4-triazole-3-thione

Modify Date: 2024-04-03 16:03:15

5-(4-chlorophenyl)-2-ethyl-4-methyl-1,2,4-triazole-3-thione Structure
5-(4-chlorophenyl)-2-ethyl-4-methyl-1,2,4-triazole-3-thione structure
 Common Name 5-(4-chlorophenyl)-2-ethyl-4-methyl-1,2,4-triazole-3-thione
CAS Number 114058-92-3 Molecular Weight 253.75100
Density 1.29g/cm3 Boiling Point 318.1ºC at 760mmHg
Molecular Formula C11H12ClN3S Melting Point N/A
MSDS N/A Flash Point N/A

 Names

Name 5-(4-chlorophenyl)-2-ethyl-4-methyl-1,2,4-triazole-3-thione

 Chemical & Physical Properties

Density 1.29g/cm3
Boiling Point 318.1ºC at 760mmHg
Molecular Formula C11H12ClN3S
Molecular Weight 253.75100
Exact Mass 253.04400
PSA 54.84000
LogP 3.29140
Vapour Pressure 0.00037mmHg at 25°C
Index of Refraction 1.643

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XZ5359049
CHEMICAL NAME :
3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-(4-chlorophenyl)-2-ethyl-4-methyl-
CAS REGISTRY NUMBER :
114058-92-3
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C11-H12-Cl-N3-S
MOLECULAR WEIGHT :
253.77

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 :
400 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
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: 31,1253,1988

 Synthetic Route

5-(4-chlorophenyl)-2-ethyl-4-methyl-1,2,4-triazol-3-one structure

5-(4-chlorophen...

CAS#:114058-88-7

~66%

5-(4-chlorophenyl)-2-ethyl-4-methyl-1,2,4-triazole-3-thione Structure

5-(4-chlorophen...

CAS#:114058-92-3

Literature: Kane, John M.; Dudley, Mark W.; Sorensen, Stephen M.; Miller, Francis P. Journal of Medicinal Chemistry, 1988 , vol. 31, # 6 p. 1253 - 1258
3-(4-chlorophenyl)-4-methyl-1H-1,2,4-triazol-5-one structure

3-(4-chlorophen...

CAS#:116114-20-6

~%

5-(4-chlorophenyl)-2-ethyl-4-methyl-1,2,4-triazole-3-thione Structure

5-(4-chlorophen...

CAS#:114058-92-3

Literature: Kane, John M. Synthesis, 1987 , # 10 p. 912 - 914
2-(4-chlorobenzoyl)-N-methylhydrazinecarboxamide structure

2-(4-chlorobenz...

CAS#:116114-17-1

~%

5-(4-chlorophenyl)-2-ethyl-4-methyl-1,2,4-triazole-3-thione Structure

5-(4-chlorophen...

CAS#:114058-92-3

Literature: Kane, John M. Synthesis, 1987 , # 10 p. 912 - 914
4-chlorobenzhydrazide structure

4-chlorobenzhyd...

CAS#:536-40-3

~%

5-(4-chlorophenyl)-2-ethyl-4-methyl-1,2,4-triazole-3-thione Structure

5-(4-chlorophen...

CAS#:114058-92-3

Literature: Kane, John M. Synthesis, 1987 , # 10 p. 912 - 914
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Chemsrc provides CAS#:114058-92-3 MSDS, density, melting point, boiling point, structure, etc. Its name is 5-(4-chlorophenyl)-2-ethyl-4-methyl-1,2,4-triazole-3-thione>> amp version: 5-(4-chlorophenyl)-2-ethyl-4-methyl-1,2,4-triazole-3-thione

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