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CS-W001157 4
Total: USD 88.00

5-Fluorobenzo[b]thiophene-2-carbaldehyde

  • CAS No. 698367-29-2

  • Cat. No. CS-0367088
  • Purity98+%
  • MDL No.None

*For research and further manufacturing use only, not for direct human use.

5-Fluorobenzo[b]thiophene-2-carbaldehyde|CS-0367088

Structure of 698367-29-2

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General Information

  • CAS No. 698367-29-2
  • Cat. No. CS-0367088
  • Purity 98+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₅FOS
  • Molecular Weight 180.20
  • Synonym(s) 5-Fluoro-1-benzothiophene-2-carbaldehyde
  • SMILES C1=C(C=C2C=C(C=O)SC2=C1)F

Synthesis

  • Route1
    • (5-Fluorobenzo[b]thiophen-2-yl)methanol|CS-0777640
      13771-73-8
    • ~91%
    • 5-Fluorobenzo[b]thiophene-2-carbaldehyde|CS-0367088
      698367-29-2

    References

    • NOVARTIS AG; Bock, Mark Gary; Gaul, Christoph; Gummadi, Venkateshwar Rao; Moebitz, Henrik; Sengupta, Saumitra Patent: US2014/45872 A1, 2014 ; Location in patent: Paragraph 0831 ;
  • Route2
    • 5-Fluorobenzo[b]thiophene|CS-0208949
      70060-12-7
    • null|null
      68-12-2
    • ~98%
    • 5-Fluorobenzo[b]thiophene-2-carbaldehyde|CS-0367088
      698367-29-2

    References

    • Matsunaga, Nobuyuki; Kaku, Tomohiro; Itoh, Fumio; Tanaka, Toshimasa; Hara, Takahito; Miki, Hiroshi; Iwasaki, Masahiko; Aono, Tetsuya; Yamaoka, Masuo; Kusaka, Masami; Tasaka, Akihiro Bioorganic and medicinal chemistry, 2004 , vol. 12, # 9 p. 2251 - 2273
  • Route3

    References

    • Bioorganic and medicinal chemistry, , vol. 12, # 9 p. 2251 - 2273

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   17.07
  • LogP   2.8529
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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