Cas no 105212-27-9 (6-Bromo-1-benzothiophene-2-carbonyl chloride)

6-Bromo-1-benzothiophene-2-carbonyl chloride is a versatile intermediate in organic synthesis, particularly valued for its reactivity as an acylating agent. The bromo substituent enhances its utility in cross-coupling reactions, enabling further functionalization of the benzothiophene core. Its carbonyl chloride group facilitates efficient amidation or esterification, making it a key building block for pharmaceuticals, agrochemicals, and materials science applications. The compound’s stability under controlled conditions ensures reliable handling in synthetic workflows. Its structural features allow for precise modifications, supporting the development of complex heterocyclic systems. Suitable for use under inert atmospheres, it is commonly employed in research and industrial-scale processes requiring high-purity intermediates.
6-Bromo-1-benzothiophene-2-carbonyl chloride structure
105212-27-9 structure
Product Name:6-Bromo-1-benzothiophene-2-carbonyl chloride
CAS No:105212-27-9
MF:C9H4BrClOS
MW:275.549459457397
MDL:MFCD12922705
CID:1076294
PubChem ID:13567981
Update Time:2025-05-21

6-Bromo-1-benzothiophene-2-carbonyl chloride Chemical and Physical Properties

Names and Identifiers

    • 6-Bromo-1-benzothiophene-2-carbonyl chloride
    • 6-Bromobenzo[b]thiophene-2-carbonyl chloride
    • 6-Brombenzo<b>thiophen-2-carbonylchlorid
    • KD-0720
    • 6-Bromobenzo[b]thiophene-2-carbonylchloride
    • SCHEMBL22479260
    • 105212-27-9
    • A896063
    • AKOS005073174
    • J-518418
    • MFCD12922705
    • DTXSID60544016
    • MDL： MFCD12922705
    • Inchi： 1S/C9H4BrClOS/c10-6-2-1-5-3-8(9(11)12)13-7(5)4-6/h1-4H
    • InChI Key： CYGRVPIAWAUVSU-UHFFFAOYSA-N
    • SMILES： BrC1C=CC2C=C(C(=O)Cl)SC=2C=1

Computed Properties

  • Exact Mass: 273.88500
  • Monoisotopic Mass: 273.88548g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 224
  • 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: 4.5
  • Topological Polar Surface Area: 45.3?2

Experimental Properties

  • Melting Point: 171-173°
  • PSA: 45.31000
  • LogP: 4.04280

6-Bromo-1-benzothiophene-2-carbonyl chloride Security Information

  • HazardClass：IRRITANT

6-Bromo-1-benzothiophene-2-carbonyl chloride Customs Data

  • HS CODE：2934999090
  • Customs Data：

    China Customs Code:

    2934999090

    Overview:

    2934999090. Other heterocyclic compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

6-Bromo-1-benzothiophene-2-carbonyl chloride Pricemore >>

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