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3-Chloro-4-methyl-5-nitrobenzene-1-sulfonyl chloride

  • CAS No. 78726-74-6

  • Cat. No. CS-0232961
  • Purity≥95%
  • MDL No.None

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

3-Chloro-4-methyl-5-nitrobenzene-1-sulfonyl chloride|CS-0232961

Structure of 78726-74-6

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General Information

  • CAS No. 78726-74-6
  • Cat. No. CS-0232961
  • Purity ≥95%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₅Cl₂NO₄S
  • Molecular Weight 270.09
  • Synonym(s) 3-Chloro-4-methyl-5-nitrobenzenesulfonyl chloride
  • SMILES O=S(C1=CC([N+]([O-])=O)=C(C)C(Cl)=C1)(Cl)=O

Synthesis

  • Route1

    References

    • Dann; Davies Journal of the Chemical Society, 1929 , p. 1053 Full Text Show Details Davies Journal of the Chemical Society, 1921 , vol. 119, p. 866
  • Route2
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    • 3-Chloro-4-methyl-5-nitrobenzene-1-sulfonyl chloride|CS-0232961
      78726-74-6

    References

    • Davies Journal of the Chemical Society, 1921 , vol. 119, p. 866

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
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Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   77.28
  • LogP   2.48412
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   2

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