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CS-W001157 4
Total: USD 88.00

4-Isopropylbenzenesulfonyl chloride

  • CAS No. 54997-90-9

  • Cat. No. CS-0154277
  • Purity≥96%
  • MDL No.MFCD00041510

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

4-Isopropylbenzenesulfonyl chloride|CS-0154277

Structure of 54997-90-9

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General Information

  • CAS No. 54997-90-9
  • Cat. No. CS-0154277
  • Purity ≥96%
  • MDL No. MFCD00041510
  • Storage 4°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₁ClO₂S
  • Molecular Weight 218.70
  • Synonym(s) 4-(1-methylethyl)benzenesulfonyl chloride
  • SMILES CC(C)C1=CC=C(C=C1)S(=O)(=O)Cl

Synthesis

  • Route1
    • null|null
      98-82-8
    • ~94%
    • 4-Isopropylbenzenesulfonyl chloride|CS-0154277
      54997-90-9

    References

    • Arnold, Donald R.; Nicholas, A. Martin de P.; Snow, Miles S. Canadian Journal of Chemistry, 1985 , vol. 63, p. 1150 - 1156
  • Route2

    References

    • Binisti, Carine; Assogba, Leon; Touboul, Estera; Mounier, Carine; Huet, Jack; Ombetta, Jean-Edouard; Dong, Chang Zhi; Redeuilh, Catherine; Heymans, Francoise; Godfroid, Jean-Jacques European Journal of Medicinal Chemistry, 2001 , vol. 36, # 10 p. 809 - 828
  • Route3

    References

    • Journal of Organic Chemistry USSR (English Translation), , vol. 18, p. 1695 - 1701 Zhurnal Organicheskoi Khimii, , vol. 18, # 9 p. 1936 - 1942

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05
Signal Word : Danger
UN#: 3265
Class : 8
Packing Group : Ⅱ
Hazard Statements : H314
Precautionary Statements : P260-P264-P280-P301+P330+P331-P304+P340-P363-P405-P501

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Computational Chemistry Data

  • TPSA   34.14
  • LogP   2.7375
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

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