Product Name

  • Name

    METHYL 3,5-DIBROMO-2-METHOXYBENZOATE

  • EINECS
  • CAS No. 15790-59-7
  • Article Data3
  • CAS DataBase
  • Density 1.763 g/cm3
  • Solubility
  • Melting Point 53-54 °C
  • Formula C9H8Br2O3
  • Boiling Point 336.2 °C at 760 mmHg
  • Molecular Weight 323.969
  • Flash Point 157.1 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes  Xi:Irritant;
  • Molecular Structure Molecular Structure of 15790-59-7 (METHYL 3,5-DIBROMO-2-METHOXYBENZOATE)
  • Hazard Symbols IrritantXi
  • Synonyms o-Anisicacid, 3,5-dibromo-, methyl ester (8CI);Methyl 3,5-dibromo-2-methoxybenzoate;
  • PSA 35.53000
  • LogP 3.00680

Methyl 3,5-dibromo-2-methoxybenzoate Specification

The Benzoic acid,3,5-dibromo-2-methoxy-, methyl ester, with the CAS registry number 15790-59-7, is also known as 2-Methoxy-3,5-dibromobenzoic acid methyl ester. It belongs to the product category of Aromatic Esters. This chemical's molecular formula is C9H8Br2O3 and molecular weight is 323.966. Its systematic name is called methyl 3,5-dibromo-2-methoxybenzoate. When you are using this chemical, please be cautious about it. This chemical may cause inflammation to the skin or other mucous membranes.

Physical properties of Benzoic acid,3,5-dibromo-2-methoxy-, methyl ester: (1)ACD/LogP: 3.42; (2)ACD/LogD (pH 5.5): 3.42; (3)ACD/LogD (pH 7.4): 3.42; (4)ACD/BCF (pH 5.5): 232.92; (5)ACD/BCF (pH 7.4): 232.92; (6)ACD/KOC (pH 5.5): 1722.09; (7)ACD/KOC (pH 7.4): 1722.09; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 3; (10)Index of Refraction: 1.567; (11)Molar Refractivity: 60.08 cm3; (12)Molar Volume: 183.6 cm3; (13)Surface Tension: 42.7 dyne/cm; (14)Density: 1.763 g/cm3; (15)Flash Point: 157.1 °C; (16)Enthalpy of Vaporization: 57.94 kJ/mol; (17)Boiling Point: 336.2 °C at 760 mmHg; (18)Vapour Pressure: 0.000114 mmHg at 25°C.

Uses of Benzoic acid,3,5-dibromo-2-methoxy-, methyl ester: it can be used to produce 3,5-dibromo-2-methoxy-benzoic acid by heating. This reaction will need reagent KOH and solvent methanol, H2O with reaction time of 4 hours. The yield is about 96%.

You can still convert the following datas into molecular structure:
(1)SMILES: COc1c(cc(Br)cc1Br)C(=O)OC
(2)InChI: InChI=1/C9H8Br2O3/c1-13-8-6(9(12)14-2)3-5(10)4-7(8)11/h3-4H,1-2H3
(3)InChIKey: SVSGXLZYOXVPCG-UHFFFAOYAC

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