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

Modify Date: 2025-09-20 20:49:41

3-(5-Chloro-o-tolyl)-5-(3-methoxyphenyl)-1H-1,2,4-triazole Structure
3-(5-Chloro-o-tolyl)-5-(3-methoxyphenyl)-1H-1,2,4-triazole structure
 Common Name 3-(5-Chloro-o-tolyl)-5-(3-methoxyphenyl)-1H-1,2,4-triazole
CAS Number 85303-96-4 Molecular Weight 299.75500
Density 1.264g/cm3 Boiling Point 523.7ºC at 760 mmHg
Molecular Formula C16H14ClN3O Melting Point N/A
MSDS N/A Flash Point 270.5ºC

 Names

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

 Chemical & Physical Properties

Density 1.264g/cm3
Boiling Point 523.7ºC at 760 mmHg
Molecular Formula C16H14ClN3O
Molecular Weight 299.75500
Flash Point 270.5ºC
Exact Mass 299.08300
PSA 50.80000
LogP 4.10910
Index of Refraction 1.612
InChIKey NLHQVGDLVPMMNP-UHFFFAOYSA-N
SMILES COc1cccc(-c2n[nH]c(-c3cc(Cl)ccc3C)n2)c1

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XZ4505000
CHEMICAL NAME :
s-Triazole, 3-(5-chloro-o-tolyl)-5-(m-methoxyphenyl)-
CAS REGISTRY NUMBER :
85303-96-4
LAST UPDATED :
199709
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C16-H14-Cl-N3-O
MOLECULAR WEIGHT :
299.78
WISWESSER LINE NOTATION :
T5MN DNJ CR EG B1& ER CO1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
1750 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#:85303-96-4 MSDS, density, melting point, boiling point, structure, etc. Its name is 3-(5-Chloro-o-tolyl)-5-(3-methoxyphenyl)-1H-1,2,4-triazole>> amp version: 3-(5-Chloro-o-tolyl)-5-(3-methoxyphenyl)-1H-1,2,4-triazole

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