Introduction：Basic information about CAS 6804-53-1|4-(4-(TRIFLUOROMETHYL)PHENYL)-1H-PYRAZOL-3-AMINE, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 4-(4-(TRIFLUOROMETHYL)PHENYL)-1H-PYRAZOL-3-AMINE |
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| CAS Number | 6804-53-1 | Molecular Weight | 227.18600 |
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| Density | 1.401g/cm3 | Boiling Point | 366.7ºC at 760 mmHg |
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| Molecular Formula | C10H8F3N3 | Melting Point | / |
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| MSDS | / | Flash Point | 175.6ºC |
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Names
| Name | 4-[4-(Trifluoromethyl)phenyl]-1H-pyrazol-5-amine |
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Chemical & Physical Properties
| Density | 1.401g/cm3 |
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| Boiling Point | 366.7ºC at 760 mmHg |
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| Molecular Formula | C10H8F3N3 |
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| Molecular Weight | 227.18600 |
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| Flash Point | 175.6ºC |
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| Exact Mass | 227.06700 |
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| PSA | 55.43000 |
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| LogP | 2.60780 |
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| Index of Refraction | 1.562 |
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| InChIKey | CKHMZPKSCCBXJU-UHFFFAOYSA-N |
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| SMILES | Nc1[nH]ncc1-c1ccc(C(F)(F)F)cc1 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- UQ6120000
- CHEMICAL NAME :
- Pyrazole, 3-amino-4-(alpha,alpha,alpha-trifluoro-p-tolyl)-
- CAS REGISTRY NUMBER :
- 6804-53-1
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C10-H8-F3-N3
- MOLECULAR WEIGHT :
- 227.21
- WISWESSER LINE NOTATION :
- T5MNJ CZ DR DXFFF
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 150 mg/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity) Behavioral - muscle weakness Behavioral - ataxia
- 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: 7,259,1964
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