3-(4-Chloro-o-tolyl)-5-phenyl-1H-1,2,4-triazole

Modify Date: 2025-11-01 18:31:09

3-(4-Chloro-o-tolyl)-5-phenyl-1H-1,2,4-triazole Structure
3-(4-Chloro-o-tolyl)-5-phenyl-1H-1,2,4-triazole structure
 Common Name 3-(4-Chloro-o-tolyl)-5-phenyl-1H-1,2,4-triazole
CAS Number 85303-94-2 Molecular Weight 269.72900
Density 1.266g/cm3 Boiling Point 476.6ºC at 760 mmHg
Molecular Formula C15H12ClN3 Melting Point N/A
MSDS N/A Flash Point 274.2ºC

 Names

Name 3-(4-Chloro-2-methylphenyl)-5-phenyl-1H-1,2,4-triazole

 Chemical & Physical Properties

Density 1.266g/cm3
Boiling Point 476.6ºC at 760 mmHg
Molecular Formula C15H12ClN3
Molecular Weight 269.72900
Flash Point 274.2ºC
Exact Mass 269.07200
PSA 41.57000
LogP 4.10050
Index of Refraction 1.629
InChIKey LGVUPKLKXKOWAC-UHFFFAOYSA-N
SMILES Cc1cc(Cl)ccc1-c1nc(-c2ccccc2)n[nH]1

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XZ4506000
CHEMICAL NAME :
s-Triazole, 3-(4-chloro-o-tolyl)-5-phenyl-
CAS REGISTRY NUMBER :
85303-94-2
LAST UPDATED :
199709
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C15-H12-Cl-N3
MOLECULAR WEIGHT :
269.75
WISWESSER LINE NOTATION :
T5MN DNJ CR DG B1& ER

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
20 mg/kg
SEX/DURATION :
female 4-8 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants)
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: 26,1187,1983
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
700 ug/kg
SEX/DURATION :
female 4-8 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants)
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: 26,1187,1983
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Chemsrc provides CAS#:85303-94-2 MSDS, density, melting point, boiling point, structure, etc. Its name is 3-(4-Chloro-o-tolyl)-5-phenyl-1H-1,2,4-triazole>> amp version: 3-(4-Chloro-o-tolyl)-5-phenyl-1H-1,2,4-triazole

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