3-(o-Tolyl)-5-(α,α,α-trifluoro-m-tolyl)-1H-1,2,4-triazole

Modify Date: 2025-09-28 15:31:59

3-(o-Tolyl)-5-(α,α,α-trifluoro-m-tolyl)-1H-1,2,4-triazole Structure
3-(o-Tolyl)-5-(α,α,α-trifluoro-m-tolyl)-1H-1,2,4-triazole structure
 Common Name 3-(o-Tolyl)-5-(α,α,α-trifluoro-m-tolyl)-1H-1,2,4-triazole
CAS Number 69095-77-8 Molecular Weight 303.28200
Density 1.292g/cm3 Boiling Point 453.1ºC at 760 mmHg
Molecular Formula C16H12F3N3 Melting Point N/A
MSDS N/A Flash Point 227.8ºC

 Names

Name 5-(2-methylphenyl)-3-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole

 Chemical & Physical Properties

Density 1.292g/cm3
Boiling Point 453.1ºC at 760 mmHg
Molecular Formula C16H12F3N3
Molecular Weight 303.28200
Flash Point 227.8ºC
Exact Mass 303.09800
PSA 41.57000
LogP 4.46590
Index of Refraction 1.56
InChIKey DYGMEXLJCFIJME-UHFFFAOYSA-N
SMILES Cc1ccccc1-c1nc(-c2cccc(C(F)(F)F)c2)n[nH]1

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XZ5360800
CHEMICAL NAME :
s-Triazole, 3-(o-tolyl)-5-(alpha,alpha,alpha-trifluoro-m-tolyl)-
CAS REGISTRY NUMBER :
69095-77-8
LAST UPDATED :
199709
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C16-H12-F3-N3
MOLECULAR WEIGHT :
303.31
WISWESSER LINE NOTATION :
T5MN DNJ CR B1& ER CXFFF

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
3 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
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Chemsrc provides CAS#:69095-77-8 MSDS, density, melting point, boiling point, structure, etc. Its name is 3-(o-Tolyl)-5-(α,α,α-trifluoro-m-tolyl)-1H-1,2,4-triazole>> amp version: 3-(o-Tolyl)-5-(α,α,α-trifluoro-m-tolyl)-1H-1,2,4-triazole

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