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CS-W001157 4
Total: USD 88.00

Methyl 3-nitrobenzenesulfonate

  • CAS No. 6214-21-7

  • Cat. No. CS-0539929
  • Molecule weight217.20
  • Purity≥98%
  • MDL No.None

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

Methyl 3-nitrobenzenesulfonate|CS-0539929

Structure of 6214-21-7

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General Information

  • CAS No. 6214-21-7
  • Cat. No. CS-0539929
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₇NO₅S
  • Molecular Weight 217.20
  • Synonym(s) m-Nitro-benzolsulfonsaeure-methylester
  • SMILES COS(=O)(=O)C1=CC=CC(=C1)[N+](=O)[O-]

Synthesis

  • Route1
    • null|null
      124-41-4
    • null|null
      121-51-7
    • ~79%
    • Methyl 3-nitrobenzenesulfonate|CS-0539929
      6214-21-7

    References

    • Bird, Roger; Griffiths, Gwerydd; Griffiths, Gwynfor F.; Stirling, Charles J. M. Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999), 1982 , p. 579 - 584
  • Route2
    • null|null
      67-56-1
    • null|null
      121-51-7
    • ~40%
    • Methyl 3-nitrobenzenesulfonate|CS-0539929
      6214-21-7

    References

    • Alunni, Sergio; Pica, Monica; Reichenbach, Gustavo Journal of Physical Organic Chemistry, 2001 , vol. 14, # 5 p. 265 - 270
  • Route3
    • null|null
      12116-05-1
    • null|null
      61657-43-0
    • ~%
    • null|null
      115-10-6
    • Methyl 3-nitrobenzenesulfonate|CS-0539929
      6214-21-7

    References

    • Kevill, Dennis N.; Lin, Gloria Meichia L.; Wang, An Tetrahedron, 1980 , vol. 36, p. 715 - 717

Safety Information

Download SDS
GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   86.51
  • LogP   0.9299
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   3

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