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CS-W001157 4
Total: USD 88.00

3-Chlorobenzo[b]thiophene-2-carboxamide

  • CAS No. 21211-09-6

  • Cat. No. CS-W015034
  • Molecule weight211.67
  • Purity≥95%
  • MDL No.MFCD00067793

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

3-Chlorobenzo[b]thiophene-2-carboxamide|CS-W015034

Structure of 21211-09-6

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General Information

  • CAS No. 21211-09-6
  • Cat. No. CS-W015034
  • Purity ≥95%
  • MDL No. MFCD00067793
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₆ClNOS
  • Molecular Weight 211.67
  • Synonym(s) 3-Chlorobenzothiophene-2-carboxaMide
  • SMILES NC(C1=C(C2=C(C=CC=C2)S1)Cl)=O

Synthesis

  • Route1
    • N-Benzyl-3-chlorobenzo[b]thiophene-2-carboxamide|CS-0299719
      62524-16-7
    • ~20%
    • 3-Chlorobenzo[b]thiophene-2-carboxamide|CS-W015034
      21211-09-6

    References

    • Jayachandran, T.; Paramasivam, R.; Ramakrishnan, V. T. Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1986 , vol. 25, p. 89 - 91
  • Route2

    References

    • Hirota, Takashi; Tomita, Kei-Ichiroh; Sasaki, Kenji; Okuda, Kensuke; Yoshida, Masahiko; Kashino, Setsuo Heterocycles, 2001 , vol. 55, # 4 p. 741 - 752
  • Route3

    References

    • Collection of Czechoslovak Chemical Communications, , vol. 51, # 12 p. 2839 - 2847

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H317-H319
Precautionary Statements : P261-P264-P272-P280-P302+P352-P362+P364-P501

Quality Control

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Computational Chemistry Data

  • TPSA   43.09
  • LogP   2.6536
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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