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CAS No.: | 52179-74-5 |
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Name: | 5-PHENYLPYRROLE-2-CARBOXALDEHYDE |
Article Data: | 12 |
Molecular Structure: | |
Formula: | C11H9NO |
Molecular Weight: | 171.199 |
Synonyms: | 2-Formyl-5-phenyl-pyrrole; |
Density: | 1.183 g/cm3 |
Melting Point: | 137-138 °C(Solv: ethyl acetate (141-78-6); hexane (110-54-3)) |
Boiling Point: | 368.1 °C at 760 mmHg |
Flash Point: | 184 °C |
Hazard Symbols: | Xn |
Risk Codes: | 22-41 |
Safety: | 26-39 |
PSA: | 32.86000 |
LogP: | 2.49420 |
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The 1H-Pyrrole-2-carboxaldehyde,5-phenyl-, with the CAS registry number 52179-74-5, is also known as 2-Formyl-5-phenyl-pyrrole. It belongs to the product category of Pharmacetical. This chemical's molecular formula is C11H9NO and molecular weight is 171.1953. What's more, its systematic name is called 5-Phenyl-1H-pyrrole-2-carbaldehyde.
Physical properties about 1H-Pyrrole-2-carboxaldehyde,5-phenyl- are: (1)ACD/LogP: 2.93; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.93; (4)ACD/LogD (pH 7.4): 2.93; (5)ACD/BCF (pH 5.5): 99.56; (6)ACD/BCF (pH 7.4): 99.56; (7)ACD/KOC (pH 5.5): 937.2; (8)ACD/KOC (pH 7.4): 937.2; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 22 Å2; (13)Index of Refraction: 1.638; (14)Molar Refractivity: 52.03 cm3; (15)Molar Volume: 144.7 cm3; (16)Polarizability: 20.62×10-24 cm3; (17)Surface Tension: 50.2 dyne/cm; (18)Density: 1.183 g/cm3; (19)Flash Point: 184 °C; (20)Enthalpy of Vaporization: 61.47 kJ/mol; (21)Boiling Point: 368.1 °C at 760 mmHg; (22)Vapour Pressure: 1.3E-05 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=Cc2ccc(c1ccccc1)n2
(2) InChI: InChI=1/C11H9NO/c13-8-10-6-7-11(12-10)9-4-2-1-3-5-9/h1-8,12H
(3) InChIKey: AWLDDDPIAFHCFV-UHFFFAOYAA