Cas no 89642-50-2 (5-Bromo-2-nitrobenzonitrile)

5-Bromo-2-nitrobenzonitrile is a versatile brominated aromatic compound featuring both nitrile and nitro functional groups. Its molecular structure (C7H3BrN2O2) makes it a valuable intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and specialty chemicals. The bromo substituent enhances reactivity in cross-coupling reactions, while the nitro group facilitates further functionalization. This compound exhibits high purity and stability, ensuring reliable performance in demanding synthetic applications. Its well-defined reactivity profile allows for precise control in multi-step transformations, making it a preferred choice for researchers in medicinal chemistry and material science. The compound is typically supplied as a crystalline solid with consistent batch-to-batch quality.
5-Bromo-2-nitrobenzonitrile structure
5-Bromo-2-nitrobenzonitrile structure
Product Name:5-Bromo-2-nitrobenzonitrile
CAS No:89642-50-2
MF:C7H3BrN2O2
MW:227.014920473099
MDL:MFCD10699674
CID:856267
Update Time:2025-05-28

5-Bromo-2-nitrobenzonitrile Chemical and Physical Properties

Names and Identifiers

    • 5-Bromo-2-nitrobenzonitrile
    • 2-Nitro-5-brom-benzonitril
    • 2-nitro-5-bromobenzonitrile
    • 4-Bromo-2-cyanonitrobenzene
    • 5-Brom-2-nitro-benzonitril
    • 5-Bromo-2-nitro-benzonitrile
    • NSC 263787
    • NSC263787
    • KSC450I0P
    • LCNNOEPOXHHUQG-UHFFFAOYSA-N
    • WT1788
    • VZ30128
    • OR30919
    • FCH1327343
    • ST2406115
    • AX8168600
    • X2203
    • A24152
    • 5-Bromo-2-nitrobenzonitrile (ACI)
    • MDL： MFCD10699674
    • Inchi： 1S/C7H3BrN2O2/c8-6-1-2-7(10(11)12)5(3-6)4-9/h1-3H
    • InChI Key： LCNNOEPOXHHUQG-UHFFFAOYSA-N
    • SMILES： N#CC1C([N+](=O)[O-])=CC=C(Br)C=1

Computed Properties

  • Exact Mass: 225.93800
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 0
  • Complexity: 229
  • XLogP3: 1.7
  • Topological Polar Surface Area: 69.6

Experimental Properties

  • Density: 1.81±0.1 g/cm3 (20 oC 760 Torr),
  • Melting Point: 117-119 oC (ethanol )
  • Solubility: Very slightly soluble (0.3 g/l) (25 o C),
  • PSA: 69.61000
  • LogP: 2.75218

5-Bromo-2-nitrobenzonitrile Security Information

5-Bromo-2-nitrobenzonitrile Customs Data

  • HS CODE：2926909090
  • Customs Data：

    China Customs Code:

    2926909090

    Overview:

    2926909090 Other nitrile based compounds. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

5-Bromo-2-nitrobenzonitrile Pricemore >>

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