Introduction：Basic information about CAS 7697-46-3|2-Benzoylpyrrole, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 2-Benzoylpyrrole |
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| CAS Number | 7697-46-3 | Molecular Weight | 171.19500 |
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| Density | 1.173 g/cm3 | Boiling Point | 305.7ºC at 760 mmHg |
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| Molecular Formula | C11H9NO | Melting Point | 75-77ºC |
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| MSDS | / | Flash Point | 146.6ºC |
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Names
| Name | 2-Benzoylpyrrole |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.173 g/cm3 |
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| Boiling Point | 305.7ºC at 760 mmHg |
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| Melting Point | 75-77ºC |
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| Molecular Formula | C11H9NO |
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| Molecular Weight | 171.19500 |
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| Flash Point | 146.6ºC |
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| Exact Mass | 171.06800 |
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| PSA | 32.86000 |
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| LogP | 2.24570 |
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| Index of Refraction | 1.608 |
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| InChIKey | NFGGQMYSOLVBLF-UHFFFAOYSA-N |
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| SMILES | O=C(c1ccccc1)c1ccc[nH]1 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- OB6407000
- CHEMICAL NAME :
- Ketone, phenyl pyrrol-2-yl
- CAS REGISTRY NUMBER :
- 7697-46-3
- BEILSTEIN REFERENCE NO. :
- 0120606
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C11-H9-N-O
- MOLECULAR WEIGHT :
- 171.21
- WISWESSER LINE NOTATION :
- T5MJ BVR
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 750 mg/kg
- TOXIC EFFECTS :
- Behavioral - sleep Behavioral - somnolence (general depressed activity) Behavioral - changes in motor activity (specific assay)
- 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: 11,1251,1968
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 767 mg/kg
- TOXIC EFFECTS :
- Brain and Coverings - recordings from specific areas of CNS Behavioral - somnolence (general depressed activity) Behavioral - changes in motor activity (specific assay)
- 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: 11,1251,1968
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Synonyms
| phenyl-pyrrol-2-yl-methanone |
| Pyrrol-2-yl Phenyl Ketone |
| 2-Benzoylpyrroline |
| 2-Benzoyl-1H-pyrrole |
| Phenyl-pyrrol-2-yl-keton |
