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CS-W001157 4
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1,3-benzothiazole-6-carbonitrile

  • CAS No. 58249-61-9

  • Cat. No. CS-0071759
  • Molecule weight160.20
  • Purity≥97%
  • MDL No.MFCD06659656

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

1,3-benzothiazole-6-carbonitrile|CS-0071759

Structure of 58249-61-9

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General Information

  • CAS No. 58249-61-9
  • Cat. No. CS-0071759
  • Purity ≥97%
  • MDL No. MFCD06659656
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₄N₂S
  • Molecular Weight 160.20
  • Synonym(s) 6-Cyanobenzothiazole
  • SMILES N#CC1=CC=C(N=CS2)C2=C1

Synthesis

  • Route1

    References

    • Chemical and Pharmaceutical Bulletin, , vol. 46, # 4 p. 623 - 630
  • Route2
    • Benzo[d]thiazole-6-carboxamide|CS-0076702
      101084-51-9
    • ~%
    • 1,3-benzothiazole-6-carbonitrile|CS-0071759
      58249-61-9

    References

    • EP2003132 A1, ; Page/Page column 30 ; EP 2003132 A1
  • Route3
    • null|null
      107-13-1
    • null|null
      206662-96-6
    • ~%
    • 1,3-benzothiazole-6-carbonitrile|CS-0071759
      58249-61-9
    • Benzo[d]thiazole-5-carbonitrile|CS-0188380
      58249-57-3

    References

    • European Journal of Organic Chemistry, , # 9 p. 2047 - 2050

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 3439
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H302+H312-H315-H319-H331-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   36.68
  • LogP   2.16798
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   0

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