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89402-44-8

Basic Information
CAS No.: 89402-44-8
Name: 5-BROMO-2,3-DIFLUOROPYRIDINE
Article Data: 6
Molecular Structure:
Molecular Structure of 89402-44-8 (5-BROMO-2,3-DIFLUOROPYRIDINE)
Formula: C5H2BrF2N
Molecular Weight: 193.978
Synonyms: Pyridine,5-bromo-2,3-difluoro-
Density: 1.808 g/cm3
Boiling Point: 164.1 °C at 760 mmHg
Flash Point: 53.1 °C
Solubility: Slightly soluble in water.
Appearance: Colorless liquid
Hazard Symbols: Xn
Risk Codes: 22-37/38-41
Safety: 26-39
PSA: 12.89000
LogP: 2.12230
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  • 5-Bromo-2,3-difluoropyridine

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  • Casno:

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Specification

The 5-Bromo-2,3-difluoropyridine, with CAS registry number 89402-44-8, belongs to the following product categories: (1)Pyridine; (2)Pyridines. It has the systematic name of 5-bromo-2,3-difluoropyridine. Besides this, it is also called Pyridine, 5-bromo-2,3-difluoro-. And the chemical formula of this chemical is C5H2BrF2N.

Physical properties of 5-Bromo-2,3-difluoropyridine: (1)ACD/LogP: 1.74; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.74; (4)ACD/LogD (pH 7.4): 1.74; (5)ACD/BCF (pH 5.5): 12.35; (6)ACD/BCF (pH 7.4): 12.35; (7)ACD/KOC (pH 5.5): 210.45; (8)ACD/KOC (pH 7.4): 210.45; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 12.89 Å2; (13)Index of Refraction: 1.508; (14)Molar Refractivity: 32.02 cm3; (15)Molar Volume: 107.2 cm3; (16)Polarizability: 12.69×10-24cm3; (17)Surface Tension: 37.9 dyne/cm; (18)Enthalpy of Vaporization: 38.42 kJ/mol; (19)Vapour Pressure: 2.62 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cnc(F)c(F)c1
(2)InChI: InChI=1/C5H2BrF2N/c6-3-1-4(7)5(8)9-2-3/h1-2H
(3)InChIKey: QVIQXJRQVOPYGI-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C5H2BrF2N/c6-3-1-4(7)5(8)9-2-3/h1-2H
(5)Std. InChIKey: QVIQXJRQVOPYGI-UHFFFAOYSA-N