Introduction：Basic information about CAS 26028-65-9|5-(4-Chlorophenyl)-4H-1,2,4-triazole-3-thiol, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 5-(4-Chlorophenyl)-4H-1,2,4-triazole-3-thiol |
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| CAS Number | 26028-65-9 | Molecular Weight | 211.67100 |
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| Density | 1.55g/cm3 | Boiling Point | 296.8ºC at 760mmHg |
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| Molecular Formula | C8H6ClN3S | Melting Point | 295-299ºC(lit.) |
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| MSDS | ChineseUSA | Flash Point | 133.3ºC |
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Names
| Name | 5-(4-chlorophenyl)-1,2-dihydro-1,2,4-triazole-3-thione |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.55g/cm3 |
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| Boiling Point | 296.8ºC at 760mmHg |
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| Melting Point | 295-299ºC(lit.) |
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| Molecular Formula | C8H6ClN3S |
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| Molecular Weight | 211.67100 |
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| Flash Point | 133.3ºC |
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| Exact Mass | 210.99700 |
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| PSA | 80.37000 |
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| LogP | 2.41380 |
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| Vapour Pressure | 0.0014mmHg at 25°C |
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| Index of Refraction | 1.746 |
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| InChIKey | NHEHIODVWGKDFV-UHFFFAOYSA-N |
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| SMILES | S=c1nc(-c2ccc(Cl)cc2)[nH][nH]1 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- XZ5270815
- CHEMICAL NAME :
- s-Triazole-3-thiol, 5-(p-chlorophenyl)-
- CAS REGISTRY NUMBER :
- 26028-65-9
- LAST UPDATED :
- 199512
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C8-H6-Cl-N3-S
- MOLECULAR WEIGHT :
- 211.68
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: 31,1253,1988
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Safety Information
| Personal Protective Equipment | Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter |
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| Hazard Codes | Xi |
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| Safety Phrases | S22-S24/25 |
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| RIDADR | NONH for all modes of transport |
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| HS Code | 2933990090 |
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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
| 5-(4-chlorophenyl)-1h-1,2,4-triazole-3-thiol |
| 3-(p-chlorophenyl)-5-mercapto-s-triazole |
| 5-(4-Chlorophenyl)-2,4-dihydro-[1,2,4]-triazole-3-thione |
| 3-Mercapto-5-p-chlorophenyl-1,2,4-triazol |
| s-Triazole-3-thiol,5-(p-chlorophenyl) |
| 3-MERCAPTO-5(4-CHLOROPHENYL)-[1,2,4-]TRIAZOLE |
| 3-Mercapto-5-(p-chloro-phenyl)-s-triazole |
| MFCD00663556 |
| 3-(4-Chlor-phenyl)-5-mercapto-1,2,4-triazol |
| 5-(4-chlorophenyl)-4H-1,2,4-triazole-3-thiol |
| 5-(p-Chlorophenyl)-s-triazole-3-thiol |
| 3-(p-chlorophenyl)-5-mercapto-4H-1,2,4-triazole |
