3-(2-Chlorophenyl)-4-phenyl-5-(propylthio)-4H-1,2,4-triazole

Modify Date: 2024-02-15 10:19:59

3-(2-Chlorophenyl)-4-phenyl-5-(propylthio)-4H-1,2,4-triazole Structure
3-(2-Chlorophenyl)-4-phenyl-5-(propylthio)-4H-1,2,4-triazole structure
Common Name 3-(2-Chlorophenyl)-4-phenyl-5-(propylthio)-4H-1,2,4-triazole
CAS Number 81518-32-3 Molecular Weight 329.84700
Density 1.24g/cm3 Boiling Point 515.3ºC at 760 mmHg
Molecular Formula C17H16ClN3S Melting Point N/A
MSDS N/A Flash Point 265.4ºC

 Names

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

 Chemical & Physical Properties

Density 1.24g/cm3
Boiling Point 515.3ºC at 760 mmHg
Molecular Formula C17H16ClN3S
Molecular Weight 329.84700
Flash Point 265.4ºC
Exact Mass 329.07500
PSA 56.01000
LogP 5.08980
Index of Refraction 1.643

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XZ4500700
CHEMICAL NAME :
4H-1,2,4-Triazole, 3-(2-chlorophenyl)-4-phenyl-5-(propylthio)-
CAS REGISTRY NUMBER :
81518-32-3
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C17-H16-Cl-N3-S
MOLECULAR WEIGHT :
329.87

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

~56%

3-(2-Chlorophenyl)-4-phenyl-5-(propylthio)-4H-1,2,4-triazole Structure

3-(2-Chlorophen...

CAS#:81518-32-3

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

~%

3-(2-Chlorophenyl)-4-phenyl-5-(propylthio)-4H-1,2,4-triazole Structure

3-(2-Chlorophen...

CAS#:81518-32-3

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

 Precursor & DownStream

Precursor  2

DownStream  0

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