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 Name | 4-methyl-3-phenyl-1H-1,2,4-triazole-5-thione |
|---|
| CAS Number | 38942-51-7 | Molecular Weight | 191.25300 |
|---|
| Density | 1.28g/cm3 | Boiling Point | 270.1ºC at 760mmHg |
|---|
| Molecular Formula | C9H9N3S | Melting Point | / |
|---|
| MSDS | / | Flash Point | 117.1ºC |
|---|
Names
| Name | 4-methyl-3-phenyl-1H-1,2,4-triazole-5-thione |
|---|
| Synonym | More Synonyms |
|---|
Chemical & Physical Properties
| Density | 1.28g/cm3 |
|---|
| Boiling Point | 270.1ºC at 760mmHg |
|---|
| Molecular Formula | C9H9N3S |
|---|
| Molecular Weight | 191.25300 |
|---|
| Flash Point | 117.1ºC |
|---|
| Exact Mass | 191.05200 |
|---|
| PSA | 65.70000 |
|---|
| LogP | 2.14470 |
|---|
| Index of Refraction | 1.68 |
|---|
| InChIKey | XGLHJEZLNGXEAZ-UHFFFAOYSA-N |
|---|
| SMILES | Cn1c(-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 DATAACUTE 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
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% |
|---|
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 |