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3-Bromo-4-chloroanisole

  • Name 3-Bromo-4-chloroanisole
  • EINECSN/A
  • CAS No. 2732-80-1
  • Density1.564 g/cm3
  • PSA9.23000
  • LogP3.11110
  • SolubilityN/A
  • Melting Point179-180℃
  • FormulaC7H6BrClO
  • Boiling Point231.9 °C at 760 mmHg
  • Molecular Weight221.481
  • Flash Point94.1 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk Codes22-51
  • Molecular Structure
    Molecular Structure of 2732-80-1 (3-BROMO-4-CHLOROANISOLE)
  • Hazard SymbolsIrritantXi
  • SynonymsIrritantXi
  • Article Data3

3-Bromo-4-chloroanisole Specification

The Benzene,2-bromo-1-chloro-4-methoxy-, with the CAS registry number 2732-80-1, is also known as 3-Bromo-4-chloroanisole. It belongs to the product categories of Aromatic Ethers; Anisoles, Alkyloxy Compounds & Phenylacetates; Bromine Compounds; Chlorine Compounds. This chemical's molecular formula is C7H6BrClO and formula weight is 221.48. What's more, its IUPAC name is 2-bromo-1-chloro-4-methoxybenzene.

Physical properties of Benzene,2-bromo-1-chloro-4-methoxy- are: (1)ACD/LogP: 3.62; (2)ACD/LogD (pH 5.5): 3.62; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Index of Refraction: 1.556; (7)Molar Refractivity: 45.51 cm3; (8)Molar Volume: 141.5 cm3; (9)Surface Tension: 37.4 dyne/cm; (10)Density: 1.564 g/cm3; (11)Flash Point: 101.6 °C; (12)Enthalpy of Vaporization: 46.19 kJ/mol; (13)Boiling Point: 244.3 °C at 760 mmHg; (14)Vapour Pressure: 0.0477 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC1=CC(=C(C=C1)Cl)Br
(2)InChI: InChI=1S/C7H6BrClO/c1-10-5-2-3-7(9)6(8)4-5/h2-4H,1H3
(3)InChIKey: SQHMXVXKKCXIGN-UHFFFAOYSA-N

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