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5-Fluoropyridine-3-carbaldehyde

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Name

5-Fluoropyridine-3-carbaldehyde

EINECS 206-914-8
CAS No. 39891-04-8 Density 1.27 g/cm3
PSA 29.96000 LogP 1.03320
Solubility N/A Melting Point N/A
Formula C6H4FNO Boiling Point 188.6 °C at 760 mmHg
Molecular Weight 125.102 Flash Point 67.9 °C
Transport Information N/A Appearance N/A
Safety 26 Risk Codes 36
Molecular Structure Molecular Structure of 39891-04-8 (3-FLUORO-5-FORMYLPYRIDINE) Hazard Symbols IrritantXi
Synonyms

3-Fluoropyridine-5-carboxaldehyde;

Article Data 4

5-Fluoropyridine-3-carbaldehyde Specification

The 3-Fluoro-5-formylpyridine, with the CAS registry number 39891-04-8, is also known as 3-Pyridinecarboxaldehyde, 5-fluoro-. It belongs to the product categories of Pyridine; pharmacetical; Aldehyde; Building Blocks; Pyridines. This chemical's molecular formula is C6H4FNO and molecular weight is 125.1. What's more, its systematic name is 5-Fluoropyridine-3-carbaldehyde.

Physical properties of 3-Fluoro-5-formylpyridine are: (1)ACD/LogP: 0.39; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.39; (4)ACD/LogD (pH 7.4): 0.39; (5)ACD/BCF (pH 5.5): 1.16; (6)ACD/BCF (pH 7.4): 1.16; (7)ACD/KOC (pH 5.5): 38.8; (8)ACD/KOC (pH 7.4): 38.8; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 29.96 Å2; (13)Index of Refraction: 1.543; (14)Molar Refractivity: 31.09 cm3; (15)Molar Volume: 98.5 cm3; (16)Polarizability: 12.32×10-24 cm3; (17)Surface Tension: 43.8 dyne/cm; (18)Density: 1.269 g/cm3; (19)Flash Point: 67.9 °C; (20)Enthalpy of Vaporization: 42.48 kJ/mol; (21)Boiling Point: 188.6 °C at 760 mmHg; (22)Vapour Pressure: 0.594 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=C(C=NC=C1F)C=O
(2)InChI: InChI=1S/C6H4FNO/c7-6-1-5(4-9)2-8-3-6/h1-4H
(3)InChIKey: FEPXZFGQVDIXMZ-UHFFFAOYSA-N

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