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CS-W001157 4
Total: USD 88.00

2-(2-Nitrobenzenesulfonyl)acetic acid

  • CAS No. 27489-27-6

  • Cat. No. CS-0214616
  • Molecule weight245.21
  • Purity≥97%
  • MDL No.None

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

2-(2-Nitrobenzenesulfonyl)acetic acid|CS-0214616

Structure of 27489-27-6

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General Information

  • CAS No. 27489-27-6
  • Cat. No. CS-0214616
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₇NO₆S
  • Molecular Weight 245.21
  • Synonym(s) [(2-Nitrophenyl)sulfonyl]acetic acid
  • SMILES C1=CC=C(C(=C1)[N+](=O)[O-])S(=O)(=O)CC(=O)O

Synthesis

  • Route1
    • 2-((2-Nitrophenyl)thio)acetic acid|CS-0157963
      6375-65-1
    • ~%
    • 2-(2-Nitrobenzenesulfonyl)acetic acid|CS-0214616
      27489-27-6

    References

    • Shaw,K.B.; Miller,R.K. Canadian Journal of Chemistry, 1970 , vol. 48, p. 1394 - 1403
  • Route2
    • 2-((2-Nitrophenyl)thio)acetic acid|CS-0157963
      6375-65-1
    • null|null
      64-19-7
    • ~%
    • 2-(2-Nitrobenzenesulfonyl)acetic acid|CS-0214616
      27489-27-6

    References

    • Claasz Patent: DE256342 ; Fortschr. Teerfarbenfabr. Verw. Industriezweige, vol. 11, p. 160 Full Text Show Details Claasz Chemische Berichte, 1912 , vol. 45, p. 751 Chem. Zentralbl., 1913 , vol. 84, # I p. 865
  • Route3

    References

    • Claasz Patent: DE256342 ; Fortschr. Teerfarbenfabr. Verw. Industriezweige, vol. 11, p. 160 Full Text Show Details Claasz Chemische Berichte, 1912 , vol. 45, p. 751 Chem. Zentralbl., 1913 , vol. 84, # I p. 865

Safety Information

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Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   114.58
  • LogP   0.4531
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   4

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