3-(2-chlorophenyl)-5-methylsulfanyl-4-phenyl-1,2,4-triazole

Modify Date: 2024-02-01 18:52:56

3-(2-chlorophenyl)-5-methylsulfanyl-4-phenyl-1,2,4-triazole Structure
3-(2-chlorophenyl)-5-methylsulfanyl-4-phenyl-1,2,4-triazole structure
Common Name 3-(2-chlorophenyl)-5-methylsulfanyl-4-phenyl-1,2,4-triazole
CAS Number 81518-29-8 Molecular Weight 301.79400
Density 1.3g/cm3 Boiling Point 499.2ºC at 760 mmHg
Molecular Formula C15H12ClN3S Melting Point N/A
MSDS N/A Flash Point 255.7ºC

 Names

Name 3-(2-chlorophenyl)-5-methylsulfanyl-4-phenyl-1,2,4-triazole

 Chemical & Physical Properties

Density 1.3g/cm3
Boiling Point 499.2ºC at 760 mmHg
Molecular Formula C15H12ClN3S
Molecular Weight 301.79400
Flash Point 255.7ºC
Exact Mass 301.04400
PSA 56.01000
LogP 4.30960
Index of Refraction 1.667

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XZ4500600
CHEMICAL NAME :
4H-1,2,4-Triazole, 3-(2-chlorophenyl)-5-(methylthio)-4-phenyl-
CAS REGISTRY NUMBER :
81518-29-8
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C15-H12-Cl-N3-S
MOLECULAR WEIGHT :
301.81

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>1 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
IJSBDB Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. (Publications & Information Directorate, Council of Scientific and Industrial Research (CSIR), Hillside Rd., New Delhi 110 012, India) V.14B- 1976- Volume(issue)/page/year: 20,1017,1981

 Synthetic Route

~75%

3-(2-chlorophenyl)-5-methylsulfanyl-4-phenyl-1,2,4-triazole Structure

3-(2-chlorophen...

CAS#:81518-29-8

Literature: Tandon, M.; Barthwal, J. P.; Bhalla, T. N.; Bhargava, K. P. Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1981 , vol. 20, # 11 p. 1017 - 1018

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3-(2-chlorophenyl)-5-methylsulfanyl-4-phenyl-1,2,4-triazole Structure

3-(2-chlorophen...

CAS#:81518-29-8

Literature: Tandon, M.; Barthwal, J. P.; Bhalla, T. N.; Bhargava, K. P. Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1981 , vol. 20, # 11 p. 1017 - 1018