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CS-W001157 4
Total: USD 88.00

3-Methyl-2-nitrophenol

  • CAS No. 4920-77-8

  • Cat. No. CS-W006081
  • Molecule weight153.14
  • Purity≥97%
  • MDL No.MFCD00007125

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

3-Methyl-2-nitrophenol|CS-W006081

Structure of 4920-77-8

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General Information

  • CAS No. 4920-77-8
  • Cat. No. CS-W006081
  • Purity ≥97%
  • MDL No. MFCD00007125
  • Storage RT, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₇NO₃
  • Molecular Weight 153.14
  • Synonym(s) None
  • SMILES O=N(=O)C=1C(O)=CC=CC1C

Description

3-Methyl-2-nitrophenol offers a strategically positioned nitro group adjacent to a phenolic hydroxyl, enabling direct functionalization in synthetic sequences. The methyl substituent enhances electron density at the ortho position, favoring regioselective coupling reactions. This bench-stable compound serves as a key building block for bioactive heterocycles and advanced intermediates in medicinal chemistry.

Synthesis

  • Route1
    • null|null
      108-39-4
    • ~75%
    • In-stock
      3-Methyl-2-nitrophenol|CS-W006081
      4920-77-8

    References

    • Verma, Sanny; Pandita, Sangeeta; Jain, Suman L. Tetrahedron Letters, 2014 , vol. 55, # 7 p. 1320 - 1322
  • Route2

    References

    • Monti Gazzetta Chimica Italiana, 1937 , vol. 67, p. 621,623
  • Route3
    • null|null
      108-39-4
    • ~13%
    • In-stock
      5-Methyl-2-nitrophenol|CS-W005409
      700-38-9
    • In-stock
      3-Methyl-2-nitrophenol|CS-W006081
      4920-77-8

    References

    • Ouertani, M.; Girard, P.; Kagan, H.B. Tetrahedron Letters, 1982 , vol. 23, # 42 p. 4315 - 4318

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+H312+H332-H315-H319-H335-H412
Precautionary Statements : P261-P273-P280

Quality Control

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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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