Cas no 154650-60-9 (Benzo[b]thiophene-2-carboxylicacid, 6-bromo-4-fluoro-, methyl ester)

Benzo[b]thiophene-2-carboxylic acid, 6-bromo-4-fluoro-, methyl ester is a halogenated heterocyclic ester with significant utility in organic synthesis and pharmaceutical research. The presence of both bromo and fluoro substituents enhances its reactivity, making it a versatile intermediate for cross-coupling reactions and further functionalization. The methyl ester group improves solubility in organic solvents, facilitating handling and purification. This compound is particularly valuable in the development of bioactive molecules, including potential therapeutic agents, due to its structural motif common in medicinal chemistry. Its stability under standard conditions ensures reliable performance in synthetic applications.
Benzo[b]thiophene-2-carboxylicacid, 6-bromo-4-fluoro-, methyl ester structure
154650-60-9 structure
Product Name:Benzo[b]thiophene-2-carboxylicacid, 6-bromo-4-fluoro-, methyl ester
CAS No:154650-60-9
MF:C10H6BrFO2S
MW:289.120844364166
CID:106662
PubChem ID:19007547
Update Time:2025-10-16

Benzo[b]thiophene-2-carboxylicacid, 6-bromo-4-fluoro-, methyl ester Chemical and Physical Properties

Names and Identifiers

    • Benzo[b]thiophene-2-carboxylicacid, 6-bromo-4-fluoro-, methyl ester
    • methyl 6-bromo-4-fluoro-1-benzothiophene-2-carboxylate
    • Methyl-6-brom-4-fluor-1-benzothiophen-2-carboxylat
    • 6-BROMO-4-FLUORO-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID METHYL ESTER
    • DTXSID80597327
    • 6-bromo-4-fluorobenzo[b]thiophene-2-carboxylic acid methyl ester
    • Methyl 6-bromo-4-fluorobenzo[b]thiophene-2-carboxylate
    • SCHEMBL9431415
    • 154650-60-9
    • XEGDUZMNLBMBHT-UHFFFAOYSA-N
    • Inchi： 1S/C10H6BrFO2S/c1-14-10(13)9-4-6-7(12)2-5(11)3-8(6)15-9/h2-4H,1H3
    • InChI Key： XEGDUZMNLBMBHT-UHFFFAOYSA-N
    • SMILES： BrC1C=C(C2C=C(C(=O)OC)SC=2C=1)F

Computed Properties

  • Exact Mass: 287.92558
  • Monoisotopic Mass: 287.92559g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 264
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.9
  • Topological Polar Surface Area: 54.5?2

Experimental Properties

  • Density: 1.687
  • Boiling Point: 358.1°C at 760 mmHg
  • Flash Point: 170.4°C
  • Refractive Index: 1.642
  • PSA: 26.3

Benzo[b]thiophene-2-carboxylicacid, 6-bromo-4-fluoro-, methyl ester Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Apollo Scientific
PC57448-1g
Methyl 6-bromo-4-fluorobenzo[b]thiophene-2-carboxylate
 154650-60-9 95%
1g
 ￡640.00 2025-02-21

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