3-Pyridinecarboxaldehyde,6-(4-fluorophenyl)- supplier

Name
6-(4-FLUORO-PHENYL)-PYRIDINE-3-CARBALDEHYDE
EINECS
CAS No. 135958-93-9
Density 1.228g/cm³
Solubility
Melting Point
Formula C₁₂H₈FNO
Boiling Point 337.4 °C at 760 mmHg
Molecular Weight 201.2
Flash Point 157.8 °C
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms 5-Formyl-2-(4-fluorophenyl)pyridine;6-(4-Fluorophenyl)-3-pyridinecarboxaldehyde;6-(p-Fluorophenyl)-3-pyridinecarboxaldehyde;
PSA 29.96000
LogP 2.70020

3-Pyridinecarboxaldehyde,6-(4-fluorophenyl)- Specification

The 3-Pyridinecarboxaldehyde,6-(4-fluorophenyl)-, with CAS registry number 135958-93-9, has the systematic name of 6-(4-fluorophenyl)pyridine-3-carbaldehyde. Besides this, it is also called 6-(4-Fluorophenyl)nicotinaldehyde. And the chemical formula of this chemical is C₁₂H₈FNO.

Physical properties of 3-Pyridinecarboxaldehyde,6-(4-fluorophenyl)-: (1)ACD/LogP: 2.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.41; (4)ACD/LogD (pH 7.4): 2.42; (5)ACD/BCF (pH 5.5): 40.27; (6)ACD/BCF (pH 7.4): 40.33; (7)ACD/KOC (pH 5.5): 490.07; (8)ACD/KOC (pH 7.4): 490.85; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 29.96 Å²; (13)Index of Refraction: 1.595; (14)Molar Refractivity: 55.68 cm³; (15)Molar Volume: 163.8 cm³; (16)Polarizability: 22.07×10^-24cm³; (17)Surface Tension: 46.1 dyne/cm; (18)Density: 1.228 g/cm³; (19)Flash Point: 157.8 °C; (20)Enthalpy of Vaporization: 58.06 kJ/mol; (21)Boiling Point: 337.4 °C at 760 mmHg; (22)Vapour Pressure: 0.000105 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccc(cc1)c2ccc(cn2)C=O
(2)InChI: InChI=1/C12H8FNO/c13-11-4-2-10(3-5-11)12-6-1-9(8-15)7-14-12/h1-8H
(3)InChIKey: WESBCTRYJPEULH-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C12H8FNO/c13-11-4-2-10(3-5-11)12-6-1-9(8-15)7-14-12/h1-8H
(5)Std. InChIKey: WESBCTRYJPEULH-UHFFFAOYSA-N

Product Name

6-(4-FLUORO-PHENYL)-PYRIDINE-3-CARBALDEHYDE

3-Pyridinecarboxaldehyde,6-(4-fluorophenyl)- Specification

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