Cas no 61827-59-6 (1,3-Dibromo-4-methoxy-2-methyl-5-nitrobenzene)

1,3-Dibromo-4-methoxy-2-methyl-5-nitrobenzene is a halogenated aromatic compound featuring bromine substituents at the 1 and 3 positions, a methoxy group at the 4 position, a methyl group at the 2 position, and a nitro group at the 5 position. This structurally complex benzene derivative is valued for its reactivity in organic synthesis, particularly in electrophilic aromatic substitution and cross-coupling reactions. The presence of multiple functional groups enhances its utility as an intermediate in pharmaceuticals, agrochemicals, and specialty materials. Its well-defined substitution pattern allows for precise modifications, making it a versatile building block in synthetic chemistry. The compound is typically handled under controlled conditions due to its potential reactivity.
1,3-Dibromo-4-methoxy-2-methyl-5-nitrobenzene structure
61827-59-6 structure
Product Name:1,3-Dibromo-4-methoxy-2-methyl-5-nitrobenzene
CAS No:61827-59-6
MF:C8H7Br2NO3
MW:324.954080820084
CID:57769
PubChem ID:46737705
Update Time:2025-06-07

1,3-Dibromo-4-methoxy-2-methyl-5-nitrobenzene Chemical and Physical Properties

Names and Identifiers

    • 1,3-Dibromo-4-methoxy-2-methyl-5-nitrobenzene
    • ACT04828
    • AG-G-25874
    • AK101278
    • ANW-60331
    • CTK5B3784
    • FT-0687418
    • KB-150179
    • DTXSID50674018
    • AC-8555
    • A833435
    • AKOS015851796
    • 61827-59-6
    • 1,3-dibromo-4-methoxy-2-methyl-5-nitro-benzene
    • DB-009141
    • MDL： MFCD11040255
    • Inchi： 1S/C8H7Br2NO3/c1-4-5(9)3-6(11(12)13)8(14-2)7(4)10/h3H,1-2H3
    • InChI Key： KLZMIPVNKVRDIX-UHFFFAOYSA-N
    • SMILES： BrC1C(=C(C=C(C=1C)Br)[N+](=O)[O-])OC

Computed Properties

  • Exact Mass: 322.87900
  • Monoisotopic Mass: 322.879
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 221
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 3.5
  • Topological Polar Surface Area: 55A^2

Experimental Properties

  • Density: 1.868
  • Boiling Point: 367.7°C at 760 mmHg
  • Flash Point: 176.2°C
  • Refractive Index: 1.602
  • PSA: 55.05000
  • LogP: 3.96000

1,3-Dibromo-4-methoxy-2-methyl-5-nitrobenzene Customs Data

  • HS CODE：2909309090
  • Customs Data：

    China Customs Code:

    2909309090

    Overview:

    2909309090 Other aromatic ethers and their halogenated derivatives\sulfonation\Nitrated derivative(Including nitrosative derivatives).Regulatory conditions:nothing.VAT:17.0%.Tax refund rate:9.0%.MFN tariff:5.5%.general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2909309090 other aromatic ethers and their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

1,3-Dibromo-4-methoxy-2-methyl-5-nitrobenzene Pricemore >>

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SHANG HAI HAO HONG Biomedical Technology Co., Ltd.
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Crysdot LLC
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 61827-59-6 95+%
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