CAS No.39891-04-8,3-FLUORO-5-FORMYLPYRIDINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	39891-04-8
Name:	3-FLUORO-5-FORMYLPYRIDINE
Article Data:	4

Formula:	C₆H₄FNO
Molecular Weight:	125.102
Synonyms:	3-Fluoropyridine-5-carboxaldehyde;
EINECS:	206-914-8
Density:	1.27 g/cm³
Boiling Point:	188.6 °C at 760 mmHg
Flash Point:	67.9 °C
Hazard Symbols:	Xi
Risk Codes:	36
Safety:	26
PSA:	29.96000
LogP:	1.03320

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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^-24cm³; (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