Product Name

  • Name

    2-Thiophenecarboxylic acid, 4,5-dibromo-3-fluoro-, methyl ester

  • EINECS 200-258-5
  • CAS No. 395664-58-1
  • Article Data3
  • CAS DataBase
  • Density 2.072 g/cm3
  • Solubility
  • Melting Point
  • Formula C6H3Br2FO2S
  • Boiling Point 311.6 °C at 760 mmHg
  • Molecular Weight 317.961
  • Flash Point 142.2 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 395664-58-1 (2-Thiophenecarboxylic acid, 4,5-dibromo-3-fluoro-, methyl ester)
  • Hazard Symbols
  • Synonyms 4,5-Dibromo-3-fluorothiophene-2-carboxylicacid methyl ester;Methyl 4,5-dibromo-3-fluoro-2-thiophenecarboxylate;
  • PSA 54.54000
  • LogP 3.19880

2-Thiophenecarboxylicacid, 4,5-dibromo-3-fluoro-, methyl ester Specification

The 2-Thiophenecarboxylicacid, 4,5-dibromo-3-fluoro-, methyl ester, with the CAS registry number 395664-58-1, is also known as 4,5-Dibromo-3-fluoro-2-thiophenecarboxylic acid methyl ester. This chemical's molecular formula is C6H3Br2FO2S and molecular weight is 317.96. What's more, its systematic name is Methyl 4,5-dibromo-3-fluorothiophene-2-carboxylate.

Physical properties of 2-Thiophenecarboxylicacid, 4,5-dibromo-3-fluoro-, methyl ester are: (1)ACD/LogP: 2.72; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.71; (4)ACD/LogD (pH 7.4): 2.71; (5)ACD/BCF (pH 5.5): 68.13; (6)ACD/BCF (pH 7.4): 68.13; (7)ACD/KOC (pH 5.5): 714.35; (8)ACD/KOC (pH 7.4): 714.35; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 54.54 Å2; (13)Index of Refraction: 1.59; (14)Molar Refractivity: 51.78 cm3; (15)Molar Volume: 153.3 cm3; (16)Polarizability: 20.52×10-24 cm3; (17)Surface Tension: 47.8 dyne/cm; (18)Density: 2.072 g/cm3; (19)Flash Point: 142.2 °C; (20)Enthalpy of Vaporization: 55.25 kJ/mol; (21)Boiling Point: 311.6 °C at 760 mmHg; (22)Vapour Pressure: 0.000559 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC(=O)c1c(c(c(s1)Br)Br)F
(2)InChI: InChI=1/C6H3Br2FO2S/c1-11-6(10)4-3(9)2(7)5(8)12-4/h1H3
(3)InChIKey: CUZHIRPKCADYDJ-UHFFFAOYAE

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