CAS 38942-51-7|4-methyl-3-phenyl-1H-1,2,4-triazole-5-thione

Introduction:Basic information about CAS 38942-51-7|4-methyl-3-phenyl-1H-1,2,4-triazole-5-thione, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Common Name4-methyl-3-phenyl-1H-1,2,4-triazole-5-thione
CAS Number38942-51-7Molecular Weight191.25300
Density1.28g/cm3Boiling Point270.1ºC at 760mmHg
Molecular FormulaC9H9N3SMelting Point/
MSDS/Flash Point117.1ºC

Names

Name4-methyl-3-phenyl-1H-1,2,4-triazole-5-thione
SynonymMore Synonyms

Chemical & Physical Properties

Density1.28g/cm3
Boiling Point270.1ºC at 760mmHg
Molecular FormulaC9H9N3S
Molecular Weight191.25300
Flash Point117.1ºC
Exact Mass191.05200
PSA65.70000
LogP2.14470
Index of Refraction1.68
InChIKeyXGLHJEZLNGXEAZ-UHFFFAOYSA-N
SMILESCn1c(-c2ccccc2)n[nH]c1=S

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XZ5350000
CHEMICAL NAME :
4H-1,2,4-Triazole-3-thiol, 4-methyl-5-phenyl-
CAS REGISTRY NUMBER :
38942-51-7
LAST UPDATED :
199509
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C9-H9-N3-S
MOLECULAR WEIGHT :
191.27
WISWESSER LINE NOTATION :
T5NN DNJ CSH D1 ER

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
3 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ARSIM* Agricultural Research Service, USDA Information Memorandum. (Beltsville, MD 20705) Volume(issue)/page/year: 20,10,1966
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>800 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
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: 31,1253,1988

Safety Information

HS Code2933990090

Customs

HS Code2933990090
Summary2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Synonyms

4-methyl-5-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
4H-1,2,4-Triazole-3-thiol,4-methyl-5-phenyl
2,4-Dihydro-4-methyl-5-phenyl-3H-1,2,4-triazole-3-thione
ENT 25,558-X
5-phenyl-4-methyl-3H-1,2,4-triazole-3-thione
5-phenyl-4-methyl-1,2,4-triazoline-3-thione
4-methyl-5-phenyl-1,2,4-triazole-3-thiol
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