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CS-W001157 4
Total: USD 88.00

Sodium 4-acetylbenzenesulfonate

  • CAS No. 61827-67-6

  • Cat. No. CS-0155089
  • Purity≥98%
  • MDL No.MFCD00007510

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

Sodium 4-acetylbenzenesulfonate|CS-0155089

Structure of 61827-67-6

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General Information

  • CAS No. 61827-67-6
  • Cat. No. CS-0155089
  • Purity ≥98%
  • MDL No. MFCD00007510
  • Storage Store at room temperature, keep dry and cool
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₇NaO₄S
  • Molecular Weight 222.19
  • Synonym(s) 4-Acetylbenzenesulfonic Acid Sodium Salt
  • SMILES CC(=O)C1=CC=C(C=C1)S(=O)(=O)[O-].[Na+]

Synthesis

  • Route1

    References

    • Saeki, Nami; Nakamura, Noriko; Ishibashi, Takayuki; Arime, Moritatsu; Sekiya, Hideo; Ishihara, Koji; Matsumoto, Kazuko Journal of the American Chemical Society, 2003 , vol. 125, # 12 p. 3605 - 3616
  • Route2

    References

    • Kojima, Takahiko; Hirai, Yuichirou; Ishizuka, Tomoya; Shiota, Yoshihito; Yoshizawa, Kazunari; Ikemura, Kenichiro; Ogura, Takashi; Fukuzumi, Shunichi Angewandte Chemie - International Edition, 2010 , vol. 49, # 45 p. 8449 - 8453

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-P302+P352-P304+P340

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Computational Chemistry Data

  • TPSA   74.27
  • LogP   -2.2027
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   2

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