Introduction：Basic information about CAS 6085-94-5|1-Benzyl-1H-1,2,4-triazole, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 1-Benzyl-1H-1,2,4-triazole |
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| CAS Number | 6085-94-5 | Molecular Weight | 159.18800 |
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| Density | 1.13g/cm3 | Boiling Point | 321.6ºC at 760 mmHg |
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| Molecular Formula | C9H9N3 | Melting Point | / |
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| MSDS | / | Flash Point | 148.3ºC |
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Names
| Name | 1-benzyl-1,2,4-triazole |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.13g/cm3 |
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| Boiling Point | 321.6ºC at 760 mmHg |
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| Molecular Formula | C9H9N3 |
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| Molecular Weight | 159.18800 |
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| Flash Point | 148.3ºC |
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| Exact Mass | 159.08000 |
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| PSA | 30.71000 |
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| LogP | 1.32640 |
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| Index of Refraction | 1.613 |
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| InChIKey | BNWQEHYYXTVKOF-UHFFFAOYSA-N |
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| SMILES | c1ccc(Cn2cncn2)cc1 |
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| Storage condition | 2-8°C |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- XZ4095000
- CHEMICAL NAME :
- 1H-1,2,4-Triazole, 1-benzyl-
- CAS REGISTRY NUMBER :
- 6085-94-5
- BEILSTEIN REFERENCE NO. :
- 0118646
- LAST UPDATED :
- 199709
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C9-H9-N3
- MOLECULAR WEIGHT :
- 159.21
- WISWESSER LINE NOTATION :
- T5NN DNJ A1R
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 720 mg/kg
- TOXIC EFFECTS :
- Behavioral - anticonvulsant Behavioral - somnolence (general depressed activity)
- REFERENCE :
- AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 121,443,1959 ** REPRODUCTIVE DATA **
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- DOSE :
- 250 ug/kg
- SEX/DURATION :
- female 4-8 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Fertility - other measures of fertility
- REFERENCE :
- RDMIDP Quarterly Reviews on Drug Metabolism and Drug Interactions. (Freund Pub. House, Suite 500, Chesham House, 150 Regent St., London W1R 5FA, UK) V.3- 1980- Volume(issue)/page/year: 4,237,1982
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Synonyms
| N-(phenylmethyl)-1H-1,2,4-triazole |
| 1-benzyl[1,2,4]triazole |
| N-benzyl-1,2,4-triazole |
| 1-benzyl-1H-1,2,4-triazole |
| 1-(phenylmethyl)-1H-1,2,4-triazole |
| 1H-1,2,4-TRIAZOLE,1-BENZYL |
| 1H-1,2,4-Triazole,1-(phenylmethyl) |
