Introduction:Basic information about CAS 3357-42-4|3-PHENYL-1H-1,2,4-TRIAZOLE, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 3-PHENYL-1H-1,2,4-TRIAZOLE |
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| CAS Number | 3357-42-4 | Molecular Weight | 145.16100 |
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| Density | 1.214g/cm3 | Boiling Point | 332.7ºC at 760mmHg |
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| Molecular Formula | C8H7N3 | Melting Point | 177 °C |
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| MSDS | / | Flash Point | 161.3ºC |
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Names
| Name | 5-phenyl-1H-1,2,4-triazole |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.214g/cm3 |
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| Boiling Point | 332.7ºC at 760mmHg |
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| Melting Point | 177 °C |
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| Molecular Formula | C8H7N3 |
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| Molecular Weight | 145.16100 |
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| Flash Point | 161.3ºC |
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| Exact Mass | 145.06400 |
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| PSA | 41.57000 |
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| LogP | 1.47170 |
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| Index of Refraction | 1.61 |
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| InChIKey | NYMLZIFRPNYAHS-UHFFFAOYSA-N |
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| SMILES | c1ccc(-c2ncn[nH]2)cc1 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- XZ5251000
- CHEMICAL NAME :
- 1H-1,2,4-Triazole, 5-phenyl-
- CAS REGISTRY NUMBER :
- 3357-42-4
- LAST UPDATED :
- 199009
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C8-H7-N3
- MOLECULAR WEIGHT :
- 145.18
- WISWESSER LINE NOTATION :
- T5MN DNJ ER
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD05 - Lethal Dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 252 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: 9,42,1966
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 387 mg/kg
- TOXIC EFFECTS :
- Behavioral - tremor Behavioral - changes in motor activity (specific assay) Behavioral - muscle weakness
- REFERENCE :
- FRPSAX Farmaco, Edizione Scientifica. (Casella Postale 227, 27100 Pavia, Italy) V.8-43 1953-88 For publisher information, see FRMCE8 Volume(issue)/page/year: 13,629,1958
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Safety Information
| Hazard Codes | Xi |
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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
| 1H-1,2,4-TRIAZOLE,5-PHENYL |
| 3-Phenyl-1H-[1,2,4]triazol |
| 3-phenyl-1,2,4,(1H)-triazole |
| 2-Fenil-1,3,4-triazolo [Italian] |
| 3-phenyl-1,2,4-triazole |
| 3-Phenyl-1H-1,2,4-triazole |
| 3-Phenyl-<1,2,4>-triazol |
| S-Triazole,3-phenyl |