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CS-W001157 4
Total: USD 88.00

1-[(1-Isocyanoethyl)sulfonyl]-4-methylbenzene

  • CAS No. 58379-80-9

  • Cat. No. CS-D1618
  • Molecule weight209.27
  • Purity≥95%
  • MDL No.MFCD05664017

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

1-[(1-Isocyanoethyl)sulfonyl]-4-methylbenzene|CS-D1618

Structure of 58379-80-9

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General Information

  • CAS No. 58379-80-9
  • Cat. No. CS-D1618
  • Purity ≥95%
  • MDL No. MFCD05664017
  • Storage -20°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₁NO₂S
  • Molecular Weight 209.27
  • Synonym(s) benzene, 1-[(1-isocyanoethyl)sulfonyl]-4-methyl-
  • SMILES CC1=CC=C(S(=O)(C([N+]#[C-])C)=O)C=C1

Synthesis

  • Route1
    • null|null
      38622-91-2
    • null|null
      74-88-4
    • ~99%
    • In-stock
      1-[(1-Isocyanoethyl)sulfonyl]-4-methylbenzene|CS-D1618
      58379-80-9

    References

    • Kissei Pharmaceutical Co., Ltd. Patent: EP1932833 A1, 2008 ; Location in patent: Page/Page column 33; 35 ; EP 1932833 A1
  • Route2
    • null|null
      58379-87-6
    • ~%
    • In-stock
      1-[(1-Isocyanoethyl)sulfonyl]-4-methylbenzene|CS-D1618
      58379-80-9

    References

    • US2008/51395 A1, ; Page/Page column 109 ; US 20080051395 A1

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H311-H331
Precautionary Statements : P261-P264-P270-P271-P280-P301+P310-P302+P352-P304+P340-P311-P312-P330-P361-P363-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   38.5
  • LogP   2.03401
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

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