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

Modify Date: 2025-08-22 11:23:29

3-(4-Chloro-2-methylphenyl)-5-(3-methoxyphenyl)-1H-1,2,4-triazole Structure
3-(4-Chloro-2-methylphenyl)-5-(3-methoxyphenyl)-1H-1,2,4-triazole structure
Common Name 3-(4-Chloro-2-methylphenyl)-5-(3-methoxyphenyl)-1H-1,2,4-triazole
CAS Number 75318-76-2 Molecular Weight 299.75500
Density 1.264g/cm3 Boiling Point 513.8ºC at 760 mmHg
Molecular Formula C16H14ClN3O Melting Point N/A
MSDS N/A Flash Point 264.5ºC

 Names

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

 Chemical & Physical Properties

Density 1.264g/cm3
Boiling Point 513.8ºC at 760 mmHg
Molecular Formula C16H14ClN3O
Molecular Weight 299.75500
Flash Point 264.5ºC
Exact Mass 299.08300
PSA 50.80000
LogP 4.10910
Index of Refraction 1.612
InChIKey JQVCKQSNWIUGRF-UHFFFAOYSA-N
SMILES COc1cccc(-c2n[nH]c(-c3ccc(Cl)cc3C)n2)c1

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XZ4504000
CHEMICAL NAME :
s-Triazole, 3-(4-chloro-o-tolyl)-5-(m-methoxyphenyl)-
CAS REGISTRY NUMBER :
75318-76-2
LAST UPDATED :
199709
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C16-H14-Cl-N3-O
MOLECULAR WEIGHT :
299.78
WISWESSER LINE NOTATION :
T5MN DNJ CR DG B1& ER CO1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
2500 ug/kg
SEX/DURATION :
female 6-10 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 :
Oral
DOSE :
25 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 :
200 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
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
200 ug/kg
SEX/DURATION :
female 4-8 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - other measures of fertility
REFERENCE :
RDMIDP Quarterly Reviews on Drug Metabolism and Drug Interactions. (Freund Pub. House, Suite 500, Chesham House, 150 Regent St., London W1R 5FA, UK) V.3- 1980- Volume(issue)/page/year: 4,237,1982
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