Cas no 41877-24-1 (1-(5-Bromo-2-nitrophenyl)ethanone)

1-(5-Bromo-2-nitrophenyl)ethanone is a brominated and nitrated aromatic ketone with the molecular formula C?H?BrNO?. This compound serves as a versatile intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and specialty chemicals. Its distinct functional groups—a bromo substituent and a nitro group—make it valuable for further derivatization, including nucleophilic substitution and reduction reactions. The electron-withdrawing properties of the nitro group enhance reactivity at the carbonyl center, facilitating condensation and cyclization processes. High purity and consistent quality ensure reliable performance in research and industrial applications. Proper handling is advised due to its potential sensitivity to heat and light.
1-(5-Bromo-2-nitrophenyl)ethanone structure
41877-24-1 structure
Product Name:1-(5-Bromo-2-nitrophenyl)ethanone
CAS No:41877-24-1
MF:C8H6BrNO3
MW:244.042141437531
MDL:MFCD10698995
CID:927463
Update Time:2025-05-28

1-(5-Bromo-2-nitrophenyl)ethanone Chemical and Physical Properties

Names and Identifiers

    • 1-(5-Bromo-2-nitrophenyl)ethanone
    • 1-(5-Bromo-2-nitro-phenyl)-ethanone
    • 1-(5-Bromo-2-nitro-phenyl)ethanone
    • 1-(5-BROMO-2-NITROPHENYL)ETHAN-1-ONE
    • 5-Bromo-2-nitroacetophenone (1-(5-bromo-2-nitrophenyl)-ethanone)
    • 5-Bromo-2-nitroacetophenone
    • 3-acetyl-4-nitro-bromobenzene
    • 5'-Bromo-2'-nitroacetophenone
    • AFDAUYYWZNNSFV-UHFFFAOYSA-N
    • 1-(5-bromo-2-nitrophenyl)-ethanone
    • CM11150
    • AS05256
    • MDL: MFCD10698995
    • Inchi: 1S/C8H6BrNO3/c1-5(11)7-4-6(9)2-3-8(7)10(12)13/h2-4H,1H3
    • InChI Key: AFDAUYYWZNNSFV-UHFFFAOYSA-N
    • SMILES: BrC1C=CC(=C(C(C)=O)C=1)[N+](=O)[O-]

Computed Properties

  • Exact Mass: 242.95300
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 226
  • XLogP3: 2
  • Topological Polar Surface Area: 62.9

Experimental Properties

  • Density: 1.637±0.06 g/cm3 (20 oC 760 Torr),
  • Melting Point: 92-94 oC
  • Solubility: Very slightly soluble (0.29 g/l) (25 o C),
  • PSA: 62.89000
  • LogP: 3.08310

1-(5-Bromo-2-nitrophenyl)ethanone Security Information

1-(5-Bromo-2-nitrophenyl)ethanone Customs Data

  • HS CODE:2914700090
  • Customs Data:

    China Customs Code:

    2914700090

    Overview:

    2914700090 Halogenation of other ketones and quinones\Sulfonated derivative(Including nitrated and nitrosative derivatives). VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:5.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, Acetone declared packaging

    Summary:

    HS: 2914700090 halogenated, sulphonated, nitrated or nitrosated derivatives of ketones and quinones, whether or not with other oxygen function Tax rebate rate:9.0% Supervision conditions:none VAT:17.0% MFN tariff:5.5% General tariff:30.0%

1-(5-Bromo-2-nitrophenyl)ethanone Pricemore >>

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