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

Modify Date: 2025-08-25 10:31:44

1,5-bis(4-chlorophenyl)-3-methylsulfanyl-1,2,4-triazole Structure
1,5-bis(4-chlorophenyl)-3-methylsulfanyl-1,2,4-triazole structure
 Common Name 1,5-bis(4-chlorophenyl)-3-methylsulfanyl-1,2,4-triazole
CAS Number 99793-38-1 Molecular Weight 336.23900
Density 1.39g/cm3 Boiling Point 511.8ºC at 760 mmHg
Molecular Formula C15H11Cl2N3S Melting Point N/A
MSDS N/A Flash Point 263.3ºC

 Names

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

 Chemical & Physical Properties

Density 1.39g/cm3
Boiling Point 511.8ºC at 760 mmHg
Molecular Formula C15H11Cl2N3S
Molecular Weight 336.23900
Flash Point 263.3ºC
Exact Mass 335.00500
PSA 56.01000
LogP 4.96300
Index of Refraction 1.678
InChIKey MSDUUOVVVOVKAY-UHFFFAOYSA-N
SMILES CSc1nc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)n1

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XZ4098000
CHEMICAL NAME :
1H-1,2,4-Triazole, 1,5-bis(4-chlorophenyl)-3-(methylthio)-
CAS REGISTRY NUMBER :
99793-38-1
LAST UPDATED :
199709
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C15-H11-Cl2-N3-S
MOLECULAR WEIGHT :
336.25

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
770 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
EJMCA5 European Journal of Medicinal Chemistry--Chimie Therapeutique. (Editions Scientifiques Elsevier, 29 rue Buffon, F-75005, Paris, France) V.9- 1974- Volume(issue)/page/year: 25,95,1990
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
155 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
EJMCA5 European Journal of Medicinal Chemistry--Chimie Therapeutique. (Editions Scientifiques Elsevier, 29 rue Buffon, F-75005, Paris, France) V.9- 1974- Volume(issue)/page/year: 25,95,1990
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 :
EJMCA5 European Journal of Medicinal Chemistry--Chimie Therapeutique. (Editions Scientifiques Elsevier, 29 rue Buffon, F-75005, Paris, France) V.9- 1974- Volume(issue)/page/year: 25,95,1990
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
450 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
EJMCA5 European Journal of Medicinal Chemistry--Chimie Therapeutique. (Editions Scientifiques Elsevier, 29 rue Buffon, F-75005, Paris, France) V.9- 1974- Volume(issue)/page/year: 25,95,1990
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Chemsrc provides CAS#:99793-38-1 MSDS, density, melting point, boiling point, structure, etc. Its name is 1,5-bis(4-chlorophenyl)-3-methylsulfanyl-1,2,4-triazole>> amp version: 1,5-bis(4-chlorophenyl)-3-methylsulfanyl-1,2,4-triazole

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