Cas no 15540-81-5 (1-Bromo-2,5-dimethyl-4-nitro-benzene)

1-Bromo-2,5-dimethyl-4-nitro-benzene is a halogenated aromatic compound featuring a bromo substituent at the 1-position, methyl groups at the 2- and 5-positions, and a nitro group at the 4-position. This structure imparts reactivity suitable for further functionalization, making it valuable in synthetic organic chemistry, particularly in electrophilic substitution and cross-coupling reactions. The electron-withdrawing nitro group enhances the compound's utility in nucleophilic aromatic substitution, while the bromo group serves as a versatile handle for metal-catalyzed transformations. Its crystalline solid form and defined melting point ensure consistent handling and purity, facilitating precise applications in pharmaceutical intermediates, agrochemicals, and material science research.
1-Bromo-2,5-dimethyl-4-nitro-benzene structure
15540-81-5 structure
Product Name:1-Bromo-2,5-dimethyl-4-nitro-benzene
CAS No:15540-81-5
MF:C8H8BrNO2
MW:230.058621406555
MDL:MFCD01463298
CID:1092325
Update Time:2025-06-08

1-Bromo-2,5-dimethyl-4-nitro-benzene Chemical and Physical Properties

Names and Identifiers

    • 1-Bromo-2,5-dimethyl-4-nitrobenzene
    • 4-Bromo-2,5-dimethylnitrobenzene
    • Benzene, 1-bromo-2,5-dimethyl-4-nitro-
    • 1-BROMO-2,5-DIMETHYL-4-NITRO-BENZENE
    • 2-nitro-5-bromo-p-xylene
    • 2-bromo-5-nitro-p-xylene
    • LGWQRRHGAQXGGS-UHFFFAOYSA-N
    • 9765AH
    • SBB097529
    • 4-bromo-2,5-dimethyl-1-nitrobenzene
    • AK146781
    • SY025905
    • 1-Bromo-2,5-dimethyl-4-nitro-benzene
    • MDL: MFCD01463298
    • Inchi: 1S/C8H8BrNO2/c1-5-4-8(10(11)12)6(2)3-7(5)9/h3-4H,1-2H3
    • InChI Key: LGWQRRHGAQXGGS-UHFFFAOYSA-N
    • SMILES: BrC1=CC(C)=C(C=C1C)[N+](=O)[O-]

Computed Properties

  • Exact Mass: 228.97384
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 0
  • Complexity: 180
  • XLogP3: 3.2
  • Topological Polar Surface Area: 45.8

Experimental Properties

  • Boiling Point: 288.8±35.0°C at 760 mmHg
  • PSA: 43.14

1-Bromo-2,5-dimethyl-4-nitro-benzene Security Information

1-Bromo-2,5-dimethyl-4-nitro-benzene Pricemore >>

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