Introduction：Basic information about CAS 16227-12-6|4-PHENYL-4H-1,2,4-TRIAZOLE, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 4-PHENYL-4H-1,2,4-TRIAZOLE |
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| CAS Number | 16227-12-6 | Molecular Weight | 145.16100 |
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| Density | 1.16 g/cm3 | Boiling Point | 292.3ºC at 760 mmHg |
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| Molecular Formula | C8H7N3 | Melting Point | / |
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| MSDS | / | Flash Point | 130.6ºC |
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Names
| Name | 4-phenyl-1,2,4-triazole |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.16 g/cm3 |
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| Boiling Point | 292.3ºC at 760 mmHg |
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| Molecular Formula | C8H7N3 |
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| Molecular Weight | 145.16100 |
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| Flash Point | 130.6ºC |
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| Exact Mass | 145.06400 |
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| PSA | 30.71000 |
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| LogP | 1.26730 |
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| Vapour Pressure | 0.00184mmHg at 25°C |
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| Index of Refraction | 1.632 |
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| InChIKey | YAHHNSBXSDGEFB-UHFFFAOYSA-N |
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| SMILES | c1ccc(-n2cnnc2)cc1 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- XZ5250000
- CHEMICAL NAME :
- 1H-1,2,4-Triazole, 4-phenyl-
- CAS REGISTRY NUMBER :
- 16227-12-6
- BEILSTEIN REFERENCE NO. :
- 0115833
- LAST UPDATED :
- 199709
- DATA ITEMS CITED :
- 3
- MOLECULAR FORMULA :
- C8-H7-N3
- MOLECULAR WEIGHT :
- 145.18
- WISWESSER LINE NOTATION :
- T5NN DNJ DR
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 134 mg/kg
- TOXIC EFFECTS :
- Behavioral - convulsions or effect on seizure threshold
- REFERENCE :
- JAPMA8 Journal of the American Pharmaceutical Association, Scientific Edition. (Washington, DC) V.29-49, 1940-60. For publisher information, see JPMSAE. Volume(issue)/page/year: 47,778,1958
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 38 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JAPMA8 Journal of the American Pharmaceutical Association, Scientific Edition. (Washington, DC) V.29-49, 1940-60. For publisher information, see JPMSAE. Volume(issue)/page/year: 47,778,1958
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 41 mg/kg
- TOXIC EFFECTS :
- Behavioral - convulsions or effect on seizure threshold
- REFERENCE :
- JAPMA8 Journal of the American Pharmaceutical Association, Scientific Edition. (Washington, DC) V.29-49, 1940-60. For publisher information, see JPMSAE. Volume(issue)/page/year: 47,778,1958
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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-phenyl-4H-1,2,4-triazine |
| 1-phenyl 1,3,4-triazole |
| 4-benzene-1,2,4-triazole |
| 4-Phenyl-1H-1,2,4-triazole |
| 1H-1,2,4-Triazole,4-phenyl |
