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2-Bromo-5-fluoro-3-methylpyridine

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  • Name 2-Bromo-5-fluoro-3-methylpyridine
  • EINECSN/A
  • CAS No. 38186-85-5
  • Density1.592 g/cm3
  • PSA12.89000
  • LogP2.29160
  • SolubilityN/A
  • Melting PointN/A
  • FormulaC6H5BrFN
  • Boiling Point200.24 °C at 760 mmHg
  • Molecular Weight190.015
  • Flash Point74.903 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety26-39
  • Risk Codes22-37/38-41
  • Molecular Structure
    Molecular Structure of 38186-85-5 (2-Bromo-5-fluoro-3-picoline)
  • Hazard SymbolsXn
  • SynonymsXn

2-Bromo-5-fluoro-3-methylpyridine Specification

The 2-Bromo-5-fluoro-3-picoline, with CAS registry number 38186-85-5, belongs to the following product category: Pyridine. It has the systematic name of 2-bromo-5-fluoro-3-methyl-pyridine. Besides this, it is also called Pyridine, 2-bromo-5-fluoro-3-methyl-. And the chemical formula of this chemical is C6H5BrFN.

Physical properties of 2-Bromo-5-fluoro-3-picoline: (1)ACD/LogP: 2.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.19; (4)ACD/LogD (pH 7.4): 2.19; (5)ACD/BCF (pH 5.5): 27.199; (6)ACD/BCF (pH 7.4): 27.199; (7)ACD/KOC (pH 5.5): 370.226; (8)ACD/KOC (pH 7.4): 370.226; (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: 1.53; (14)Molar Refractivity: 36.853 cm3; (15)Molar Volume: 119.327 cm3; (16)Polarizability: 14.61×10-24cm3; (17)Surface Tension: 38.216 dyne/cm; (18)Density: 1.592 g/cm3; (19)Flash Point: 74.903 °C; (20)Enthalpy of Vaporization: 41.861 kJ/mol; (21)Boiling Point: 200.24 °C at 760 mmHg; (22)Vapour Pressure: 0.464 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1cc(cnc1Br)F
(2)InChI: InChI=1/C6H5BrFN/c1-4-2-5(8)3-9-6(4)7/h2-3H,1H3
(3)InChIKey: QLBXFAJGMGFVCN-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C6H5BrFN/c1-4-2-5(8)3-9-6(4)7/h2-3H,1H3
(5)Std. InChIKey: QLBXFAJGMGFVCN-UHFFFAOYSA-N

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