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2-Bromo-6-fluorobenzoyl chloride

  • Name 2-Bromo-6-fluorobenzoyl chloride
  • EINECSN/A
  • CAS No. 1020718-20-0
  • Density1.742 g/cm3
  • PSA17.07000
  • LogP2.96720
  • SolubilityN/A
  • Melting PointN/A
  • FormulaC7H3BrClFO
  • Boiling Point235.9 °C at 760 mmHg
  • Molecular Weight237.456
  • Flash Point96.5 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 1020718-20-0 (2-BROMO-6-FLUOROBENZOYL CHLORIDE)
  • Hazard SymbolsN/A
  • SynonymsN/A
  • Article Data13

2-Bromo-6-fluorobenzoyl chloride Specification

The 2-Bromo-6-fluorobenzoyl chloride, with the CAS registry number 1020718-20-0, is also known as Benzoyl chloride, 2-bromo-6-fluoro-. This chemical's molecular formula is C7H3BrClFO and molecular weight is 237.4535232. What's more, its systematic name is 2-Bromo-6-fluoro-benzoyl chloride.

Physical properties about 2-Bromo-6-fluorobenzoyl chloride are: (1)ACD/LogP: 2.18; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.18; (4)ACD/LogD (pH 7.4): 2.18; (5)#H bond acceptors: 1; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: 17.07 Å2; (9)Index of Refraction: 1.561; (10)Molar Refractivity: 44.18 cm3; (11)Molar Volume: 136.2 cm3; (12)Polarizability: 17.51×10-24 cm3; (13)Surface Tension: 42.9 dyne/cm; (14)Density: 1.742 g/cm3; (15)Flash Point: 96.5 °C; (16)Enthalpy of Vaporization: 47.27 kJ/mol; (17)Boiling Point: 235.9 °C at 760 mmHg; (18)Vapour Pressure: 0.0488 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: c1cc(c(c(c1)Br)C(=O)Cl)F
(2) InChI: InChI=1/C7H3BrClFO/c8-4-2-1-3-5(10)6(4)7(9)11/h1-3H
(3) InChIKey: ZQOQNOOLDFFUDH-UHFFFAOYAX

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