Ethanone,1-[4-(1H-pyrrol-1-yl)phenyl]- supplier

Name
1-(4-PYRROL-1-YL-PHENYL)-ETHANONE
EINECS
CAS No. 22106-37-2
Article Data26
CAS DataBase
Density 1.05 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₁NO
Boiling Point 320.8 °C at 760 mmHg
Molecular Weight 185.225
Flash Point 147.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms Acetophenone,4'-pyrrol-1-yl- (8CI);1-(p-Acetylphenyl)pyrrole;N-(4-Acetylphenyl)pyrrole;1-[4-(1H-Pyrrol-1-yl)phenyl]ethanone;1-(4-Pyrrol-1-yl-phenyl)-ethanone;
PSA 22.00000
LogP 2.67990

Ethanone,1-[4-(1H-pyrrol-1-yl)phenyl]- Specification

The Ethanone,1-[4-(1H-pyrrol-1-yl)phenyl]-, with the CAS registry number 22106-37-2, is also known as N-(4-Acetylphenyl)pyrrole. This chemical's molecular formula is C₁₂H₁₁NO and molecular weight is 185.22. What's more, its systematic name is 1-[4-(1H-pyrrol-1-yl)phenyl]ethanone.

Physical properties of Ethanone,1-[4-(1H-pyrrol-1-yl)phenyl]- are: (1)ACD/LogP: 2.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.53; (4)ACD/LogD (pH 7.4): 2.53; (5)ACD/BCF (pH 5.5): 49.01; (6)ACD/BCF (pH 7.4): 49.01; (7)ACD/KOC (pH 5.5): 564.29; (8)ACD/KOC (pH 7.4): 564.29; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 22 Å²; (13)Index of Refraction: 1.565; (14)Molar Refractivity: 57.37 cm³; (15)Molar Volume: 175.9 cm³; (16)Polarizability: 22.74×10^-24cm³; (17)Surface Tension: 39.2 dyne/cm; (18)Density: 1.05 g/cm³; (19)Flash Point: 147.8 °C; (20)Enthalpy of Vaporization: 56.25 kJ/mol; (21)Boiling Point: 320.8 °C at 760 mmHg; (22)Vapour Pressure: 0.000311 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccc(cc1)n2cccc2)C
(2)InChI: InChI=1S/C12H11NO/c1-10(14)11-4-6-12(7-5-11)13-8-2-3-9-13/h2-9H,1H3
(3)InChIKey: DXDGPUOOPJCGOL-UHFFFAOYSA-N

Product Name

1-(4-PYRROL-1-YL-PHENYL)-ETHANONE

Ethanone,1-[4-(1H-pyrrol-1-yl)phenyl]- Specification

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