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Cas Database |
| Name |
2-Benzoylpyrrole |
EINECS | N/A |
| CAS No. | 7697-46-3 | Density | 1.173 g/cm3 |
| PSA | 32.86000 | LogP | 2.24570 |
| Solubility | N/A | Melting Point |
75-77°C |
| Formula | C11H9NO | Boiling Point | 305.7 °C at 760 mmHg |
| Molecular Weight | 171.199 | Flash Point | 146.6 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Moderately toxic by intraperitoneal route. A flammable liquid. When heated to decomposition it emits toxic vapors of NOx. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
5-21-08-00461 (Beilstein Handbook Reference);BRN 0120606;NSC 75585;Phenyl pyrrol-2-yl ketone;Phenyl-1H-pyrrol-2-ylmethanone;Pyrrol-2-ylphenyl ketone;Ketone, phenyl pyrrol-2-yl;Methanone, phenyl-1H-pyrrol-2-yl- (9CI); |
Article Data | 49 |
2-Benzoylpyrrole Chemical Properties
IUPAC Name: Phenyl(1H-pyrrol-2-yl)methanone
Synonyms of 2-Benzoylpyrrole (CAS NO.7697-46-3): 5-21-08-00461 (Beilstein Handbook Reference) ; BRN 0120606 ; NSC 75585 ; Phenyl pyrrol-2-yl ketone ; Phenyl-1H-pyrrol-2-ylmethanone ; Pyrrol-2-ylphenyl ketone ; Ketone, phenyl pyrrol-2-yl ; Methanone, phenyl-1H-pyrrol-2-yl- (9CI)
CAS NO: 7697-46-3
Classification Code: Drug / Therapeutic Agent
Molecular Formula: C11H9NO
Molecular Weight: 171.1953
Polar Surface Area: 22 Å2
Index of Refraction: 1.608
Molar Refractivity: 50.47 cm3
Molar Volume: 145.8 cm3
Surface Tension: 49.2 dyne/cm
Density: 1.173 g/cm3
Flash Point: 146.6 °C
Enthalpy of Vaporization: 54.62 kJ/mol
Boiling Point: 305.7 °C at 760 mmHg
Vapour Pressure: 0.000808 mmHg at 25°C
Molecular Structure:Appearance of 2-Benzoylpyrrole (CAS NO.7697-46-3): Colorless or light yellow crystalline
Following is the molecular structure of 2-Benzoylpyrrole (CAS NO.7697-46-3):
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2-Benzoylpyrrole Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 767mg/kg (767mg/kg) | BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) | Journal of Medicinal Chemistry. Vol. 11, Pg. 1251, 1968. |
| rat | LD50 | intraperitoneal | 750mg/kg (750mg/kg) | BEHAVIORAL: SLEEP BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) | Journal of Medicinal Chemistry. Vol. 11, Pg. 1251, 1968. |
2-Benzoylpyrrole Safety Profile
Moderately toxic by intraperitoneal route. A flammable liquid. When heated to decomposition it emits toxic vapors of NOx.
2-Benzoylpyrrole Standards and Recommendations
Standards of 2-Benzoylpyrrole (CAS NO.7697-46-3):
DOT Classification: 3
Label: Flammable Liquid
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