4-(4-bromophenyl)-3-[(4-phenylphenoxy)methyl]-1H-1,2,4-triazole-5-thione

Modify Date: 2025-11-30 16:41:34

4-(4-bromophenyl)-3-[(4-phenylphenoxy)methyl]-1H-1,2,4-triazole-5-thione Structure
4-(4-bromophenyl)-3-[(4-phenylphenoxy)methyl]-1H-1,2,4-triazole-5-thione structure
 Common Name 4-(4-bromophenyl)-3-[(4-phenylphenoxy)methyl]-1H-1,2,4-triazole-5-thione
CAS Number 68869-50-1 Molecular Weight 438.34000
Density 1.43g/cm3 Boiling Point 566.9ºC at 760 mmHg
Molecular Formula C21H16BrN3OS Melting Point N/A
MSDS N/A Flash Point 296.7ºC

 Names

Name 4-(4-bromophenyl)-3-[(4-phenylphenoxy)methyl]-1H-1,2,4-triazole-5-thione

 Chemical & Physical Properties

Density 1.43g/cm3
Boiling Point 566.9ºC at 760 mmHg
Molecular Formula C21H16BrN3OS
Molecular Weight 438.34000
Flash Point 296.7ºC
Exact Mass 437.02000
PSA 78.74000
LogP 5.56450
Index of Refraction 1.683
InChIKey GTHZTFKGLNSVEV-UHFFFAOYSA-N
SMILES S=c1[nH]nc(COc2ccc(-c3ccccc3)cc2)n1-c1ccc(Br)cc1

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XZ5270100
CHEMICAL NAME :
s-Triazole-2-thiol, 5-(4-biphenoxymethyl)-1-(p-bromophenyl)-
CAS REGISTRY NUMBER :
68869-50-1
LAST UPDATED :
199403
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C21-H16-Br-N3-O-S
MOLECULAR WEIGHT :
438.37

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 :
>1 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
PWPSA8 Proceedings of the Western Pharmacology Society. (Univ. of California Dept. of Pharmacology, Los Angeles, CA 90024) V.1- 1958- Volume(issue)/page/year: 21,223,1978
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Chemsrc provides CAS#:68869-50-1 MSDS, density, melting point, boiling point, structure, etc. Its name is 4-(4-bromophenyl)-3-[(4-phenylphenoxy)methyl]-1H-1,2,4-triazole-5-thione>> amp version: 4-(4-bromophenyl)-3-[(4-phenylphenoxy)methyl]-1H-1,2,4-triazole-5-thione

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