Cas no 90407-15-1 (Ethyl 7-chlorobenzo[b]thiophene-2-carboxylate)

Ethyl 7-chlorobenzo[b]thiophene-2-carboxylate structure
90407-15-1 structure
Product Name:Ethyl 7-chlorobenzo[b]thiophene-2-carboxylate
CAS No:90407-15-1
MF:C11H9ClO2S
MW:240.705960988998
MDL:MFCD00834770
CID:798324
PubChem ID:821969
Update Time:2024-10-26

Ethyl 7-chlorobenzo[b]thiophene-2-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Ethyl 7-chlorobenzo[b]thiophene-2-carboxylate
    • 7-CHLORO-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID
    • Benzo[b]thiophene-2-carboxylicacid, 7-chloro-, ethyl ester
    • Ethyl 7-chloro-1-benzothiophene-2-carboxylate
    • Ethyl 7-chlorobenzo[b]thiophene-2-carboxylate (ACI)
    • SCHEMBL18264007
    • AKOS022172767
    • Ethyl7-chlorobenzo[b]thiophene-2-carboxylate
    • AS-8590
    • 90407-15-1
    • MFCD00834770
    • Benzo[b]thiophene-2-carboxylic acid, 7-chloro-, ethyl ester
    • DTXSID50356347
    • DB-325892
    • AA-516/33240003
    • MDL: MFCD00834770
    • Inchi: 1S/C11H9ClO2S/c1-2-14-11(13)9-6-7-4-3-5-8(12)10(7)15-9/h3-6H,2H2,1H3
    • InChI Key: SBWRJGPKZNEBGR-UHFFFAOYSA-N
    • SMILES: O=C(C1=CC2C(=C(C=CC=2)Cl)S1)OCC

Computed Properties

  • Exact Mass: 240.0011784g/mol
  • Monoisotopic Mass: 240.0011784g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 3
  • Complexity: 247
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 4.1
  • Topological Polar Surface Area: 54.5?2

Ethyl 7-chlorobenzo[b]thiophene-2-carboxylate Security Information

  • Storage Condition:Sealed in dry,2-8°C

Ethyl 7-chlorobenzo[b]thiophene-2-carboxylate Pricemore >>

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Ethyl 7-chlorobenzo[b]thiophene-2-carboxylate Production Method

Production Method 1

Reaction Conditions
1.1 Solvents: Ethanol
Reference
7-Substituted benzo[b]thiophenes and 1,2-benzisothiazoles. Part 2. Chloro and nitro derivatives
Rahman, Loay K. A.; et al, Journal of the Chemical Society, 1984, (3), 385-90

Ethyl 7-chlorobenzo[b]thiophene-2-carboxylate Raw materials

Ethyl 7-chlorobenzo[b]thiophene-2-carboxylate Preparation Products

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