Cas no 1239720-33-2 (4-Amino-3-bromo-5-nitrobenzonitrile)

4-Amino-3-bromo-5-nitrobenzonitrile is a versatile heterocyclic building block widely used in pharmaceutical and agrochemical research. Its unique structure, featuring amino, bromo, nitro, and cyano functional groups, enables diverse chemical transformations, particularly in nucleophilic aromatic substitution and cross-coupling reactions. The electron-withdrawing nitro and cyano groups enhance reactivity at the bromo position, making it valuable for synthesizing complex aromatic systems. This compound serves as a key intermediate in developing biologically active molecules, including potential drug candidates and crop protection agents. Its high purity and stability under standard conditions ensure reliable performance in synthetic applications. The multiple reactive sites allow for selective functionalization, facilitating structure-activity relationship studies in medicinal chemistry.
4-Amino-3-bromo-5-nitrobenzonitrile structure
1239720-33-2 structure
Product Name:4-Amino-3-bromo-5-nitrobenzonitrile
CAS No:1239720-33-2
MF:C7H4BrN3O2
MW:242.029560089111
MDL:MFCD22383659
CID:1039079
PubChem ID:20305665
Update Time:2025-07-02

4-Amino-3-bromo-5-nitrobenzonitrile Chemical and Physical Properties

Names and Identifiers

    • 4-Amino-3-bromo-5-nitrobenzonitrile
    • MFCD22383659
    • Benzonitrile, 4-amino-3-bromo-5-nitro-
    • 1239720-33-2
    • E76180
    • CS-0188052
    • SCHEMBL7886443
    • DB-332011
    • DTXSID50604895
    • PS-5212
    • AKOS016001188
    • DTXCID10555652
    • MDL： MFCD22383659
    • Inchi： 1S/C7H4BrN3O2/c8-5-1-4(3-9)2-6(7(5)10)11(12)13/h1-2H,10H2
    • InChI Key： CXFJPTGXTQYIPO-UHFFFAOYSA-N
    • SMILES： BrC1=CC(C#N)=CC(=C1N)[N+](=O)[O-]

Computed Properties

  • Exact Mass: 240.94900
  • Monoisotopic Mass: 240.94869g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 256
  • 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
  • XLogP3: 2
  • Topological Polar Surface Area: 95.6?2

Experimental Properties

  • PSA: 95.63000
  • LogP: 2.91558

4-Amino-3-bromo-5-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%

4-Amino-3-bromo-5-nitrobenzonitrile Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Fluorochem
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Alichem
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TRC
A577088-10mg
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 $ 50.00 2022-06-08
TRC
A577088-50mg
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 $ 65.00 2022-06-08
TRC
A577088-100mg
4-Amino-3-bromo-5-nitrobenzonitrile
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100mg
 $ 80.00 2022-06-08
abcr
AB531762-1 g
4-Amino-3-bromo-5-nitrobenzonitrile; .
 1239720-33-2
1g
 €116.50 2023-07-11
abcr
AB531762-5 g
4-Amino-3-bromo-5-nitrobenzonitrile; .
 1239720-33-2
5g
 €269.60 2023-07-11

4-Amino-3-bromo-5-nitrobenzonitrile Production Method

4-Amino-3-bromo-5-nitrobenzonitrile Related Literature

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