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CS-W001157 4
Total: USD 88.00

2-Methyl-2-nitropropyl 4-methylbenzenesulfonate

  • CAS No. 62291-95-6

  • Cat. No. CS-0574685
  • Molecule weight273.31
  • Purity≥98%
  • MDL No.None

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

2-Methyl-2-nitropropyl 4-methylbenzenesulfonate|CS-0574685

Structure of 62291-95-6

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General Information

  • CAS No. 62291-95-6
  • Cat. No. CS-0574685
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₅NO₅S
  • Molecular Weight 273.31
  • Synonym(s) p-Toluenesulfonic acid,(2-methyl-2-nitro)propyl ester
  • SMILES CC1=CC=C(C=C1)S(=O)(=O)OCC(C)(C)[N+](=O)[O-]

Synthesis

  • Route1
    • 2-Methyl-2-nitropropan-1-ol|CS-0242540
      76-39-1
    • null|null
      98-59-9
    • ~80%
    • 2-Methyl-2-nitropropyl 4-methylbenzenesulfonate|CS-0574685
      62291-95-6

    References

    • Durand, Gregory; Polidori, Ange; Pucci, Bernard Patent: US2006/120985 A1, 2006 ; Location in patent: Page/Page column 5; sheet 1 ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06,GHS08
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H311-H331-H341
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   86.51
  • LogP   1.75562
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   5

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