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CS-W001157 4
Total: USD 88.00

4-Methyl-3-nitrophenol

  • CAS No. 2042-14-0

  • Cat. No. CS-D1224
  • Molecule weight153.14
  • Purity≥97%
  • MDL No.MFCD00007244

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

4-Methyl-3-nitrophenol|CS-D1224

Structure of 2042-14-0

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General Information

  • CAS No. 2042-14-0
  • Cat. No. CS-D1224
  • Purity ≥97%
  • MDL No. MFCD00007244
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₇NO₃
  • Molecular Weight 153.14
  • Synonym(s) None
  • SMILES OC1=CC=C(C)C([N+]([O-])=O)=C1

Description

4-Methyl-3-nitrophenol was used as standard during the determination of nitrophenols. It was used as starting reagent during the synthesis of 1-methyl-2-nitro-4-(tetrahydropyranyloxy)benzene.

Application

4-Methyl-3-nitrophenol serves as a versatile building block in synthetic organic chemistry, enabling the construction of functionalized heterocycles and pharmaceutical intermediates. Its ortho-directing methyl group and electron-withdrawing nitro substituent facilitate selective electrophilic substitution and nucleophilic aromatic displacement reactions. The compound exhibits good bench stability and is readily purified by recrystallization, making it well-suited for iterative synthesis workflows in medicinal chemistry and process development.

Synthesis

  • Route1
    • null|null
      106-44-5
    • ~6%
    • null|null
      119-33-5
    • In-stock
      4-Methyl-3-nitrophenol|CS-D1224
      2042-14-0

    References

    • Tetrahedron, , vol. 55, # 22 p. 6733 - 6738
  • Route2
    • null|null
      16296-53-0
    • ~%
    • In-stock
      4-Methyl-3-nitrophenol|CS-D1224
      2042-14-0

    References

    • US4031160 A1, ;
  • Route3
    • null|null
      50343-63-0
    • ~%
    • In-stock
      4-Methyl-3-nitrophenol|CS-D1224
      2042-14-0

    References

    • DE206638 ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07,GHS09
Signal Word : Warning
UN#: 2446
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H302-H315-H317-H319-H335-H411
Precautionary Statements : P260-P261-P264-P270-P271-P272-P273-P280-P301+P310-P302+P352-P304+P340-P305+P351+P338-P312-P330-P332+P313-P333+P317-P337+P313-P362+P364-P391-P403+P233-P405-P501

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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