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2-Bromo-3'-chloropropiophenone

  • Name 2-Bromo-3'-chloropropiophenone
  • EINECS252-282-1
  • CAS No. 34911-51-8
  • Density1.518 g/cm3
  • PSA17.07000
  • LogP3.30610
  • SolubilityAcetonitrile, Chloroform, Dichloromethane, Ethyl Acetate
  • Melting PointN/A
  • FormulaC9H8BrClO
  • Boiling Point295 °C at 760 mmHg
  • Molecular Weight247.519
  • Flash Point132.2 °C
  • Transport InformationN/A
  • AppearanceYellow to brown colored liquid
  • Safety
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 34911-51-8 (2-Bromo-3'-chloropropiophenone)
  • Hazard SymbolsN/A
  • SynonymsN/A
  • Article Data42

2-Bromo-3'-chloropropiophenone Specification

The 2-Bromo-3'-chloropropiophenone, with CAS registry number 34911-51-8, belongs to the following product category: Aromatics. It has the systematic name of 2-bromo-1-(3-chlorophenyl)propan-1-one. And this chemical is a kind of yellow to brown colored liquid. The chemical formula of this chemical is C9H8BrClO. What's more, its EINECS is 252-282-1.

Physical properties of 2-Bromo-3'-chloropropiophenone: (1)ACD/LogP: 3.38; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 17.07 Å2; (7)Index of Refraction: 1.57; (8)Molar Refractivity: 53.49 cm3; (9)Molar Volume: 162.9 cm3; (10)Polarizability: 21.2×10-24cm3; (11)Surface Tension: 43.1 dyne/cm; (12)Enthalpy of Vaporization: 53.47 kJ/mol; (13)Vapour Pressure: 0.00157 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1cc(Cl)ccc1)C(Br)C
(2)InChI: InChI=1/C9H8BrClO/c1-6(10)9(12)7-3-2-4-8(11)5-7/h2-6H,1H3
(3)InChIKey: OFNMQTRHMBQQEA-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C9H8BrClO/c1-6(10)9(12)7-3-2-4-8(11)5-7/h2-6H,1H3
(5)Std. InChIKey: OFNMQTRHMBQQEA-UHFFFAOYSA-N

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