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

Modify Date: 2025-09-18 18:01:34

3,5-bis(2-methylphenyl)-1H-1,2,4-triazole Structure
3,5-bis(2-methylphenyl)-1H-1,2,4-triazole structure
 Common Name 3,5-bis(2-methylphenyl)-1H-1,2,4-triazole
CAS Number 85681-49-8 Molecular Weight 249.31000
Density 1.147g/cm3 Boiling Point 464.9ºC at 760 mmHg
Molecular Formula C16H15N3 Melting Point N/A
MSDS N/A Flash Point 213.6ºC

 Names

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

 Chemical & Physical Properties

Density 1.147g/cm3
Boiling Point 464.9ºC at 760 mmHg
Molecular Formula C16H15N3
Molecular Weight 249.31000
Flash Point 213.6ºC
Exact Mass 249.12700
PSA 41.57000
LogP 3.75550
Index of Refraction 1.613
InChIKey CJJLZZUJURYVAA-UHFFFAOYSA-N
SMILES Cc1ccccc1-c1n[nH]c(-c2ccccc2C)n1

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XZ4120000
CHEMICAL NAME :
s-Triazole, 3,5-bis(o-tolyl)-
CAS REGISTRY NUMBER :
85681-49-8
BEILSTEIN REFERENCE NO. :
0533196
LAST UPDATED :
199709
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C16-H15-N3
MOLECULAR WEIGHT :
249.34
WISWESSER LINE NOTATION :
T5MN DNJ CR B1& ER B1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
3500 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

 Safety Information

HS Code 2933990090

 Customs

HS Code 2933990090
Summary 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
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Chemsrc provides CAS#:85681-49-8 MSDS, density, melting point, boiling point, structure, etc. Its name is 3,5-bis(2-methylphenyl)-1H-1,2,4-triazole>> amp version: 3,5-bis(2-methylphenyl)-1H-1,2,4-triazole

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