Introduction：Basic information about CAS 25812-76-4|4-methyl-3-methylsulfanyl-5-phenyl-1,2,4-triazole, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 4-methyl-3-methylsulfanyl-5-phenyl-1,2,4-triazole |
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| CAS Number | 25812-76-4 | Molecular Weight | 205.27900 |
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| Density | 1.21g/cm3 | Boiling Point | 387.9ºC at 760 mmHg |
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| Molecular Formula | C10H11N3S | Melting Point | / |
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| MSDS | / | Flash Point | 188.4ºC |
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Names
| Name | 4-methyl-3-methylsulfanyl-5-phenyl-1,2,4-triazole |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.21g/cm3 |
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| Boiling Point | 387.9ºC at 760 mmHg |
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| Molecular Formula | C10H11N3S |
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| Molecular Weight | 205.27900 |
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| Flash Point | 188.4ºC |
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| Exact Mass | 205.06700 |
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| PSA | 56.01000 |
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| LogP | 2.20400 |
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| Vapour Pressure | 3.19E-06mmHg at 25°C |
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| Index of Refraction | 1.639 |
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| InChIKey | YQMPWJBMMZNZRK-UHFFFAOYSA-N |
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| SMILES | CSc1nnc(-c2ccccc2)n1C |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- XZ4961200
- CHEMICAL NAME :
- 1H-1,2,4-Triazole, 4-methyl-3-(methylthio)-5-phenyl-
- CAS REGISTRY NUMBER :
- 25812-76-4
- BEILSTEIN REFERENCE NO. :
- 0168782
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C10-H11-N3-S
- MOLECULAR WEIGHT :
- 205.30
HEALTH HAZARD DATAACUTE TOXICITY DATA - 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: 37,125,1994
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Safety Information
Customs
| HS Code | 2933990090 |
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| 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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Synonyms
| 4-methyl-3-phenyl-5-methylthio-4H-1,2,4-triazole |
| 4-Methyl-5-methylthio-3-phenyl-1,2,4-triazol |
| 3-Phenyl-4-methyl-5-methylmercapto-1,2,4-triazol |
