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Cas Database |
| Name |
Benzaldehyde,2-(1H-pyrrol-1-yl)- |
EINECS | N/A |
| CAS No. | 31739-56-7 | Density | 1.06 g/cm3 |
| PSA | 22.00000 | LogP | 2.28980 |
| Solubility | N/A | Melting Point |
156 °C |
| Formula | C11H9NO | Boiling Point | 312.8 °C at 760 mmHg |
| Molecular Weight | 171.199 | Flash Point | 143 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
2-(1H-Pyrrol-1-yl)benzaldehyde; |
Article Data | 7 |
Benzaldehyde,2-(1H-pyrrol-1-yl)- Specification
The CAS registry number of Benzaldehyde,2-(1H-pyrrol-1-yl)- is 31739-56-7. This chemical's molecular formula is C11H9NO and molecular weight is 171.1953. Its systematic name is called 2-(1H-pyrrol-1-yl)benzaldehyde.
Physical properties of Benzaldehyde,2-(1H-pyrrol-1-yl)-: (1)ACD/LogP: 2.50; (2)#H bond acceptors: 2; (3)#Freely Rotating Bonds: 2; (4)Index of Refraction: 1.573; (5)Molar Refractivity: 52.94 cm3; (6)Molar Volume: 160.6 cm3; (7)Surface Tension: 42.1 dyne/cm; (8)Density: 1.06 g/cm3; (9)Flash Point: 143 °C; (10)Enthalpy of Vaporization: 55.39 kJ/mol; (11)Boiling Point: 312.8 °C at 760 mmHg; (12)Vapour Pressure: 0.000516 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc1ccccc1n2cccc2
(2)InChI: InChI=1/C11H9NO/c13-9-10-5-1-2-6-11(10)12-7-3-4-8-12/h1-9H
(3)InChIKey: BITJMALLHCGYKF-UHFFFAOYAK
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