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3-Bromo-2-fluoro-5-methylpyridine

  • Name 3-Bromo-2-fluoro-5-methylpyridine
  • EINECS807-945-5
  • CAS No. 17282-01-8
  • Density1.592 g/cm3
  • PSA12.89000
  • LogP2.29160
  • SolubilityN/A
  • Melting Point57.0 to 61.0 °C
  • FormulaC6H5BrFN
  • Boiling Point207.797 °C at 760 mmHg
  • Molecular Weight190.015
  • Flash Point79.473 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety26-36
  • Risk Codes20/21/22-36/37/38
  • Molecular Structure
    Molecular Structure of 17282-01-8 (3-Bromo-2-fluoro-5-methylpyridine)
  • Hazard SymbolsIrritantXi,HarmfulXn
  • SynonymsIrritantXi,HarmfulXn
  • Article Data2

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

The IUPAC name of 3-Bromo-2-fluoro-5-methylpyridine is 3-bromo-2-fluoro-5-methylpyridine. With the CAS registry number 17282-01-8, it is also named as 2-Fluoro-3-bromo-5-picoline. The product's categories are Pyridine; Pyridines; Boronic Acid; Variety of Halogenated Heterocyclic Series. In addition, its molecular formula is C6H5BrFN and molecular weight is 190.01.

The other characteristics of 3-Bromo-2-fluoro-5-methylpyridine can be summarized as: (1)ACD/LogP: 1.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 29; (6)ACD/BCF (pH 7.4): 29; (7)ACD/KOC (pH 5.5): 392; (8)ACD/KOC (pH 7.4): 392; (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: 79.473 °C; (20)Enthalpy of Vaporization: 42.593 kJ/mol; (21)Boiling Point: 207.797 °C at 760 mmHg; (22)Vapour Pressure: 0.318 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following: it is irritating to eyes, respiratory system and skin. It is also harmful by inhalation, in contact with skin and if swallowed. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. And you should wear suitable protective clothing.

People can use the following data to convert to the molecule structure.
(1)SMILES: Cc1cnc(F)c(Br)c1
(2)InChI: InChI=1/C6H5BrFN/c1-4-2-5(7)6(8)9-3-4/h2-3H,1H3
(3)InChIKey: FWKQBHMQYXTOTD-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C6H5BrFN/c1-4-2-5(7)6(8)9-3-4/h2-3H,1H3
(5)Std. InChIKey: FWKQBHMQYXTOTD-UHFFFAOYSA-N

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