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CS-W001157 4
Total: USD 88.00

2-(4-Nitrobenzenesulfonyl)acetic acid

  • CAS No. 3937-94-8

  • Cat. No. CS-0223400
  • Molecule weight245.21
  • Purity≥95%
  • MDL No.None

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

2-(4-Nitrobenzenesulfonyl)acetic acid|CS-0223400

Structure of 3937-94-8

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General Information

  • CAS No. 3937-94-8
  • Cat. No. CS-0223400
  • Purity ≥95%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₇NO₆S
  • Molecular Weight 245.21
  • Synonym(s) [(4-Nitrophenyl)sulfonyl]acetic acid
  • SMILES O=C(O)CS(=O)(C1=CC=C([N+]([O-])=O)C=C1)=O

Synthesis

  • Route1
    • 2-[(4-Nitrophenyl)sulfanyl]acetic acid|CS-0206905
      3406-75-5
    • ~64%
    • 2-(4-Nitrobenzenesulfonyl)acetic acid|CS-0223400
      3937-94-8

    References

    • Mirskova, A.N.; Kryukova, Yu.I.; Levkovskaya, G.G.; Guseva, S.A.; Voronkov, M.G. Journal of Organic Chemistry USSR (English Translation), 1984 , vol. 20, # 3 p. 545 - 550 Zhurnal Organicheskoi Khimii, 1984 , vol. 20, # 3 p. 602 - 608
  • Route2

    References

    • Pasto,D.J. et al. Journal of Organic Chemistry, 1965 , vol. 30, p. 2688 - 2691
  • Route3
    • 2-((4-Nitrophenyl)sulfinyl)acetic acid|CS-0963558
      3406-71-1
    • ~%
    • 2-(4-Nitrobenzenesulfonyl)acetic acid|CS-0223400
      3937-94-8

    References

    • Kresze,G. et al. Chemische Berichte, 1961 , vol. 94, p. 2060 - 2072

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

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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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