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CS-W001157 4
Total: USD 88.00

3-Nitrophenyl 4-methylbenzenesulfonate

  • CAS No. 3899-90-9

  • Cat. No. CS-0316026
  • Purity95+%
  • MDL No.None

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

3-Nitrophenyl 4-methylbenzenesulfonate|CS-0316026

Structure of 3899-90-9

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General Information

  • CAS No. 3899-90-9
  • Cat. No. CS-0316026
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₁NO₅S
  • Molecular Weight 293.30
  • Synonym(s) p-Toluenesulfonic Acid 3-Nitrophenyl Ester
  • SMILES CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)[N+](=O)[O-]

Synthesis

  • Route1
    • null|null
      554-84-7
    • null|null
      98-59-9
    • ~%
    • 3-Nitrophenyl 4-methylbenzenesulfonate|CS-0316026
      3899-90-9

    References

    • Sharghi, Hashem; Shahsavari-Fard, Zahra Helvetica Chimica Acta, 2005 , vol. 88, # 1 p. 42 - 52

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   86.51
  • LogP   2.67092
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   4

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