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CS-W001157 4
Total: USD 88.00

(5-Nitro-1,3-phenylene)dimethanol

  • CAS No. 71176-55-1

  • Cat. No. CS-0140239
  • Purity≥98%
  • MDL No.MFCD00007274

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

(5-Nitro-1,3-phenylene)dimethanol|CS-0140239

Structure of 71176-55-1

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General Information

  • CAS No. 71176-55-1
  • Cat. No. CS-0140239
  • Purity ≥98%
  • MDL No. MFCD00007274
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₉NO₄
  • Molecular Weight 183.16
  • Synonym(s) 5-Nitro-m-xylene-alpha,alpha'-diol
  • SMILES OCC1=CC([N+]([O-])=O)=CC(CO)=C1

Description

5-Nitro-m-xylene-,-diol was used to fabricate chemical sensor for detection of explosive 2,4,6-trinitrotoluene by planar integrated optical waveguide attenuated total reflection spectrometry.

Application

(5-Nitro-1,3-phenylene)dimethanol serves as a versatile diol building block for the synthesis of functionalized aromatic scaffolds. Its ortho-diol arrangement enables selective protection and oxidation reactions, while the nitro group provides a handle for subsequent reduction or coupling transformations. The compound exhibits good bench stability and facilitates efficient purification, making it well-suited for iterative synthetic sequences in medicinal chemistry and materials development.

Synthesis

  • Route1
    • null|null
      13438-30-7
    • ~71%
    • In-stock
      (5-Nitro-1,3-phenylene)dimethanol|CS-0140239
      71176-55-1

    References

    • Ghorai, Subir; Bhattacharjya, Anup; Basak, Ajoy; Mitra, Abhijit; Williamson, R. Thomas Journal of Organic Chemistry, 2003 , vol. 68, # 2 p. 617 - 620
  • Route2

    References

    • Nandre, Kamalakar P.; Bhosale, Sheshanath V.; Rama Krishna; Gupta, Akhil; Bhosale, Sidhanath V. Chemical Communications, 2013 , vol. 49, # 48 p. 5444 - 5446
  • Route3
    • 5-Nitroisophthalaldehyde|CS-1367988
      36308-36-8
    • ~%
    • In-stock
      (5-Nitro-1,3-phenylene)dimethanol|CS-0140239
      71176-55-1

    References

    • Chemische Berichte, , vol. 118, # 3 p. 1204 - 1229

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   83.6
  • LogP   0.5794
  • H_Acceptors   4
  • H_Donors   2
  • Rotatable_Bonds   3

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