Product Name

  • Name

    3-Chloro-2-fluoro-5-methylpyridine

  • EINECS
  • CAS No. 1031929-23-3
  • Density 1.264 g/cm3
  • Solubility
  • Melting Point 44-46℃
  • Formula C6H5ClFN
  • Boiling Point 194.1 °C at 760 mmHg
  • Molecular Weight 145.562003
  • Flash Point 71.2 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 1031929-23-3 (3-Chloro-2-fluoro-5-methylpyridine)
  • Hazard Symbols ToxicT
  • Synonyms Pyridine, 3-chloro-2-fluoro-5-methyl-;2-Fluoro-3-chloro-5-methylpyridine;
  • PSA 12.89000
  • LogP 2.18250

3-Chloro-2-Fluoro-5-Methylpyridine Specification

The IUPAC name of 3-Chloro-2-fluoro-5-methylpyridine is 3-chloro-2-fluoro-5-methylpyridine. With the CAS registry number 1031929-23-3, it is also named as Pyridine, 3-chloro-2-fluoro-5-methyl-. In addition, its molecular formula is C6H5ClFN and its molecular weight is 145.562003.

The other characteristics of 3-Chloro-2-fluoro-5-methylpyridine can be summarized as: (1)ACD/LogP: 2.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.25; (4)ACD/LogD (pH 7.4): 2.25; (5)#H bond acceptors: 1; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 0; (8)Polar Surface Area: 12.89 Å2; (9)Index of Refraction: 1.503; (10)Molar Refractivity: 34.05 cm3; (11)Molar Volume: 115 cm3; (12)Polarizability: 13.5×10-24cm3; (13)Surface Tension: 36 dyne/cm; (14)Density: 1.264 g/cm3; (15)Flash Point: 71.2 °C; (16)Enthalpy of Vaporization: 41.27 kJ/mol; (17)Boiling Point: 194.1 °C at 760 mmHg; (18)Vapour Pressure: 0.628 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: Cc1cc(c(nc1)F)Cl
(2)InChI: InChI=1/C6H5ClFN/c1-4-2-5(7)6(8)9-3-4/h2-3H,1H3
(3)InChIKey: ZMBBHQSOSMAMTF-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C6H5ClFN/c1-4-2-5(7)6(8)9-3-4/h2-3H,1H3
(5)Std. InChIKey: ZMBBHQSOSMAMTF-UHFFFAOYSA-N

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