Introduction：Basic information about CAS 14803-99-7|3-(4-Pyridinyl)-1H-1,2,4-triazole, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 3-(4-Pyridinyl)-1H-1,2,4-triazole |
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| CAS Number | 14803-99-7 | Molecular Weight | 146.14900 |
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| Density | 1.296g/cm3 | Boiling Point | 389.6ºC at 760 mmHg |
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| Molecular Formula | C7H6N4 | Melting Point | / |
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| MSDS | / | Flash Point | 196.9ºC |
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Names
| Name | 4-(1H-1,2,4-triazol-5-yl)pyridine |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.296g/cm3 |
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| Boiling Point | 389.6ºC at 760 mmHg |
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| Molecular Formula | C7H6N4 |
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| Molecular Weight | 146.14900 |
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| Flash Point | 196.9ºC |
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| Exact Mass | 146.05900 |
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| PSA | 54.46000 |
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| LogP | 0.86670 |
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| Vapour Pressure | 2.81E-06mmHg at 25°C |
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| Index of Refraction | 1.619 |
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| InChIKey | OYJDWYWNACFAQB-UHFFFAOYSA-N |
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| SMILES | c1cc(-c2ncn[nH]2)ccn1 |
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| Storage condition | 2-8℃ |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- XZ5262000
- CHEMICAL NAME :
- 1H-1,2,4-Triazole, 5-(4-pyridyl)-
- CAS REGISTRY NUMBER :
- 14803-99-7
- LAST UPDATED :
- 199009
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C7-H6-N4
- MOLECULAR WEIGHT :
- 146.17
- WISWESSER LINE NOTATION :
- T6NJ D- ET5MN DNJ
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD05 - Lethal Dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 295 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 :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 790 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: 8,676,1965
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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
| 3-(4-Pyridyl)-1,2,4-triazol |
| 1H-1,2,4-Triazole,5-(4-pyridyl) |
| 4-(1H-[1,2,4]Triazol-3-yl)-pyridin |
| 4-(1H-[1,2,4]triazol-3-yl)-pyridine |
| 5-(4-Pyridyl)-1H-1,2,4-triazole |
| 3-(pyridin-4-yl)-1H-1,2,4-triazole |
| Pyridine,4-(1H-1,2,4-triazol-5-yl) |
