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CS-W001157 4
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Methyl 4-(hydroxymethyl)-3-nitrobenzoate

  • CAS No. 89950-93-6

  • Cat. No. CS-0567371
  • Molecule weight211.17
  • Purity≥98%
  • MDL No.None

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

Methyl 4-(hydroxymethyl)-3-nitrobenzoate|CS-0567371

Structure of 89950-93-6

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General Information

  • CAS No. 89950-93-6
  • Cat. No. CS-0567371
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₉NO₅
  • Molecular Weight 211.17
  • Synonym(s) Benzoic acid, 4-(hydroxymethyl)-3-nitro-, methyl ester
  • SMILES O=C(OC)C1=CC=C(CO)C([N+]([O-])=O)=C1

Synthesis

  • Route1

    References

    • Berteina, Sabine; De Mesmaeker, Alain Synlett, 1998 , # 11 p. 1227 - 1230
  • Route2

    References

    • Kantchev, Assen B.; Parquette, Jon R. Tetrahedron Letters, 1999 , vol. 40, # 46 p. 8049 - 8053
  • Route3
    • Methyl 4-(bromomethyl)-3-nitrobenzoate|CS-0695998
      88089-94-5
    • ~%
    • Methyl 4-(hydroxymethyl)-3-nitrobenzoate|CS-0567371
      89950-93-6

    References

    • Kantchev, Assen B.; Parquette, Jon R. Tetrahedron Letters, 1999 , vol. 40, # 46 p. 8049 - 8053

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   89.67
  • LogP   0.8737
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   3

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