Introduction：Basic information about CAS 114058-91-2|5-(4-fluorophenyl)-4h-1,2,4-triazole-3-thiol, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 5-(4-fluorophenyl)-4h-1,2,4-triazole-3-thiol |
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| CAS Number | 114058-91-2 | Molecular Weight | 195.21700 |
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| Density | 1.5g/cm3 | Boiling Point | 263.2ºC at 760mmHg |
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| Molecular Formula | C8H6FN3S | Melting Point | / |
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| MSDS | / | Flash Point | 113ºC |
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Names
| Name | 5-(4-fluorophenyl)-1,2-dihydro-1,2,4-triazole-3-thione |
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Chemical & Physical Properties
| Density | 1.5g/cm3 |
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| Boiling Point | 263.2ºC at 760mmHg |
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| Molecular Formula | C8H6FN3S |
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| Molecular Weight | 195.21700 |
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| Flash Point | 113ºC |
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| Exact Mass | 195.02700 |
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| PSA | 76.56000 |
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| LogP | 2.27340 |
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| Vapour Pressure | 0.0104mmHg at 25°C |
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| Index of Refraction | 1.707 |
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| InChIKey | YJFTVTOWNFZLSW-UHFFFAOYSA-N |
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| SMILES | Fc1ccc(-c2nc(=S)[nH][nH]2)cc1 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- XZ5359088
- CHEMICAL NAME :
- 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-(4-fluorophenyl)-
- CAS REGISTRY NUMBER :
- 114058-91-2
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C8-H6-F-N3-S
- MOLECULAR WEIGHT :
- 195.23
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 400 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
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