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CS-W001157 4
Total: USD 88.00

2-Methyl-3-nitrophenol

  • CAS No. 5460-31-1

  • Cat. No. CS-0000004
  • Molecule weightNone
  • Purity≥96%
  • MDL No.MFCD00007241

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

2-Methyl-3-nitrophenol|CS-0000004

Structure of 5460-31-1

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General Information

  • CAS No. 5460-31-1
  • Cat. No. CS-0000004
  • Purity ≥96%
  • MDL No. MFCD00007241
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₇NO₃
  • Molecular Weight None
  • Synonym(s) 3-Nitro-o-cresol (2-Hydroxy-6-nitrotoluene); 2-Methyl-3-nitrophenol
  • SMILES OC1=CC=CC([N+]([O-])=O)=C1C

Description

2-Methyl-3-nitrophenol was used as internal standard to develop a method for measurement of stable isotope ratio of methylnitrophenols in atmospheric particulate matter.

Application

2-Methyl-3-nitrophenol serves as a versatile intermediate in synthetic organic chemistry, enabling the construction of heterocyclic scaffolds and functionalized aromatic systems. Its ortho-substituted nitro group facilitates selective electrophilic substitution and participates reliably in reduction–cyclization sequences. The methyl group enhances regioselectivity in downstream transformations, while the compound exhibits sufficient bench stability for routine handling and purification.

Synthesis

  • Route1

    References

    • Lu, Hai-Hua; Liu, Hui; Wu, Wei; Wang, Xu-Fan; Lu, Liang-Qiu; Xiao, Wen-Jing Chemistry - A European Journal, 2009 , vol. 15, # 12 p. 2742 - 2746
  • Route2
    • null|null
      95-48-7
    • ~19%
    • In-stock
      2-Methyl-3-nitrophenol|CS-0000004
      5460-31-1
    • 3,3'-Dimethyl-[1,1'-biphenyl]-4,4'-diol|CS-0668469
      612-84-0
    • null|null
      112036-07-4
    • null|null
      112036-06-3

    References

    • Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, , vol. 26, # 1-12 p. 272 - 273
  • Route3
    • null|null
      606-20-2
    • ~%
    • In-stock
      2-Methyl-3-nitrophenol|CS-0000004
      5460-31-1

    References

    • Chemische Berichte, , vol. 37, p. 1021

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2446
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H302+H312+H332-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   63.37
  • LogP   1.60882
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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