Product Name

  • Name

    5-Bromo-3-methylthiophene-2-carboxylic acid

  • EINECS
  • CAS No. 38239-45-1
  • Article Data7
  • CAS DataBase
  • Density 1.784 g/cm3
  • Solubility
  • Melting Point
  • Formula C6H5BrO2S
  • Boiling Point 321.1 °C at 760 mmHg
  • Molecular Weight 221.075
  • Flash Point 148 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 38239-45-1 (5-Bromo-3-methylthiophene-2-carboxylic acid)
  • Hazard Symbols
  • Synonyms 5-BROMO-3-METHYLTHIOPHENE-2-CARBOXYLIC ACID
  • PSA 65.54000
  • LogP 2.51720

5-Bromo-3-methylthiophene-2-carboxylic acid Specification

The IUPAC name of this chemical is 5-Bromo-3-methylthiophene-2-carboxylic acid. The CAS registry number is 38239-45-1. In addition, the molecular formula is C6H5BrO2S and the molecular weight is 221.07. It should be stored in a cool and dry place.

Physical properties about this chemical are: (1)ACD/LogP: 2.93; (2)ACD/LogD (pH 5.5): 0.93 ; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 9.3; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 2; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 65.54 Å2; (11)Index of Refraction: 1.629; (12)Molar Refractivity: 44.08 cm3; (13)Molar Volume: 123.9 cm3; (14)Polarizability: 17.47 ×10-24cm3; (15)Surface Tension: 57.1 dyne/cm; (16)Density: 1.784 g/cm3; (17)Flash Point: 148 °C; (18)Enthalpy of Vaporization: 59.41 kJ/mol; (19)Boiling Point: 321.1 °C at 760 mmHg; (20)Vapour Pressure: 0.000126 mmHg at 25°C.

Uses of 5-Bromo-3-methylthiophene-2-carboxylic acid: it can react with L-glutamic acid diethyl ester; hydrochloride to get 2(S)-{[(5-bromo-3-methylthiophene-2-yl)carbonyl]amino}pentanedioic acid diethyl ester. This reaction will need reagents HOBT, diisopropylethylamine amd EDC and solvent dimethylformamide. The reaction time is 18 hours. The yield is about 99%.

5-Bromo-3-methylthiophene-2-carboxylic acid can react with L-glutamic acid diethyl ester; hydrochloride to get 2(S)-{[(5-bromo-3-methylthiophene-2-yl)carbonyl]amino}pentanedioic acid diethyl ester

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1sc(Br)cc1C
(2)InChI: InChI=1/C6H5BrO2S/c1-3-2-4(7)10-5(3)6(8)9/h2H,1H3,(H,8,9)
(3)InChIKey: JFFWMBSFXUTFLN-UHFFFAOYAD

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