Cas no 842135-76-6 (5-Bromo-3-chlorothiophene-2-carboxylic acid)

5-Bromo-3-chlorothiophene-2-carboxylic acid structure
842135-76-6 structure
Product Name:5-Bromo-3-chlorothiophene-2-carboxylic acid
CAS No:842135-76-6
MF:C5H2BrClO2S
MW:241.490178585052
MDL:MFCD22380014
CID:1033033
PubChem ID:66570499
Update Time:2024-10-26

5-Bromo-3-chlorothiophene-2-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 5-Bromo-3-chlorothiophene-2-carboxylic acid
    • 5-BROMO-3-CHLORO-2-THIOPHENECARBOXYLIC ACID
    • 2-Thiophenecarboxylic acid, 5-bromo-3-chloro-
    • EN300-156836
    • 5-Bromo-3-chlorothiophene-2-carboxylicacid
    • FT-0760196
    • DTXSID80735242
    • CS-0197448
    • DUUPWFRCVBAIKZ-UHFFFAOYSA-N
    • MFCD22380014
    • 842135-76-6
    • Z1486037274
    • SCHEMBL154245
    • BS-17569
    • N12995
    • 5-Bromo-3-chloro-2-thiophenecarboxylic acid (ACI)
    • AKOS016010839
    • DA-02475
    • MDL: MFCD22380014
    • Inchi: 1S/C5H2BrClO2S/c6-3-1-2(7)4(10-3)5(8)9/h1H,(H,8,9)
    • InChI Key: DUUPWFRCVBAIKZ-UHFFFAOYSA-N
    • SMILES: O=C(C1=C(Cl)C=C(Br)S1)O

Computed Properties

  • Exact Mass: 239.86474g/mol
  • Monoisotopic Mass: 239.86474g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 155
  • 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: 3.1
  • Topological Polar Surface Area: 65.5?2

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5-Bromo-3-chlorothiophene-2-carboxylic acid Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Lithium diisopropylamide Solvents: Tetrahydrofuran ,  Hexane ;  5 min, -78 °C; 30 min, -78 °C
1.2 Reagents: 1,2-Dibromo-1,1,2,2-tetrafluoroethane ;  30 min, -78 °C
1.3 Reagents: Hydrochloric acid Solvents: Water ;  pH 2
Reference
Synthesis and biological evaluation of thiophene-C-glucosides as sodium-dependent glucose Co-transporter 2 inhibitors
Sakamaki, Shigeki; Kawanishi, Eiji; Koga, Yuichi; Yamamoto, Yasuo; Kuriyama, Chiaki; et al, Chemical & Pharmaceutical Bulletin, 2013, 61(10), 1037-1043

5-Bromo-3-chlorothiophene-2-carboxylic acid Raw materials

5-Bromo-3-chlorothiophene-2-carboxylic acid Preparation Products

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