1-(4-Fluorophenyl)-2-(pyridin-4-yl)ethanone supplier

Name
1-(4-FLUORO-PHENYL)-2-PYRIDIN-4-YL-ETHANONE
EINECS
CAS No. 6576-05-2
Article Data33
CAS DataBase
Density 1.201 g/cm³
Solubility
Melting Point 94-97 °C
Formula C₁₃H₁₀FNO
Boiling Point 362.6 °C at 760 mmHg
Molecular Weight 215.227
Flash Point 173.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Acetophenone,4'-fluoro-2-(4-pyridyl)- (7CI,8CI);1-(4-Fluorophenyl)-2-(4-pyridinyl)ethanone;1-(4-Fluorophenyl)-2-(4-pyridyl)ethanone;
PSA 29.96000
LogP 2.64610

1-(4-Fluorophenyl)-2-(pyridin-4-yl)ethanone Specification

The systematic name of 1-(4-Fluorophenyl)-2-(pyridin-4-yl)ethanone is 1-(4-fluorophenyl)-2-pyridin-4-ylethanone. With the CAS registry number 6576-05-2, it is also named as Ethanone,1-(4-fluorophenyl)-2-(4-pyridinyl)-. The product's categories are Pharmacetical; API Intermediates. In addition, its molecular formula is C₁₃H₁₀FNO and its molecular weight is 215.22.

The other characteristics of 1-(4-Fluorophenyl)-2-(pyridin-4-yl)ethanone can be summarized as: (1)ACD/LogP: 1.74; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.57; (4)ACD/LogD (pH 7.4): 1.74; (5)ACD/BCF (pH 5.5): 8.43; (6)ACD/BCF (pH 7.4): 12.34; (7)ACD/KOC (pH 5.5): 143.35; (8)ACD/KOC (pH 7.4): 209.9; (9)H bond acceptors: 2; (10)H bond donors: 0; (11)Freely Rotating Bonds: 3; (12)Polar Surface Area: 29.96 Å²; (13)Index of Refraction: 1.571; (14)Molar Refractivity: 58.85 cm³; (15)Molar Volume: 179 cm³; (16)Polarizability: 23.33×10^-24cm³; (17)Surface Tension: 45.7 dyne/cm; (18)Density: 1.201 g/cm³; (19)Flash Point: 173.1 °C; (20)Enthalpy of Vaporization: 60.85 kJ/mol; (21)Boiling Point: 362.6 °C at 760 mmHg; (22)Vapour Pressure: 1.91E-05 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:O=C(c1ccc(F)cc1)Cc2ccncc2
(2)InChI:InChI=1/C13H10FNO/c14-12-3-1-11(2-4-12)13(16)9-10-5-7-15-8-6-10/h1-8H,9H2
(3)InChIKey:BYPVQCWVMWIUDB-UHFFFAOYAV
(4)Std. InChI:InChI=1S/C13H10FNO/c14-12-3-1-11(2-4-12)13(16)9-10-5-7-15-8-6-10/h1-8H,9H2
(5)Std. InChIKey:BYPVQCWVMWIUDB-UHFFFAOYSA-N

Product Name

1-(4-FLUORO-PHENYL)-2-PYRIDIN-4-YL-ETHANONE

1-(4-Fluorophenyl)-2-(pyridin-4-yl)ethanone Specification

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