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CS-W001157 4
Total: USD 88.00

(4-Cyanophenyl)methanesulfonyl chloride

  • CAS No. 56105-99-8

  • Cat. No. CS-0213100
  • Purity≥98%
  • MDL No.MFCD07690517

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

(4-Cyanophenyl)methanesulfonyl chloride|CS-0213100

Structure of 56105-99-8

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General Information

  • CAS No. 56105-99-8
  • Cat. No. CS-0213100
  • Purity ≥98%
  • MDL No. MFCD07690517
  • Storage 4°C, stored under nitrogen, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆ClNO₂S
  • Molecular Weight 215.66
  • Synonym(s) BENZENEMETHANESULFONYL CHLORIDE, 4-CYANO
  • SMILES C1=C(C=CC(=C1)CS(=O)(=O)Cl)C#N

Synthesis

  • Route1
    • p-Cyanophenylmethylsulfonate sodium|CS-1356959
      56105-98-7
    • ~93%
    • (4-Cyanophenyl)methanesulfonyl chloride|CS-0213100
      56105-99-8

    References

    • ASTRAZENECA AB Patent: WO2007/8140 A1, 2007 ; Location in patent: Page/Page column 150 ; WO 2007/008140 A1
  • Route2

    References

    • US5780642 A1, ;
  • Route3

    References

    • Journal of the American Chemical Society, , vol. 62, p. 2099,2101

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05,GHS06
Signal Word : Danger
UN#: 3261
Class : 8
Packing Group : Ⅲ
Hazard Statements : H301+H311-H314-H330
Precautionary Statements : P260-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P363-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   57.93
  • LogP   1.62688
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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