Cas no 414868-82-9 (4-bromo-2-methyl-3-nitroaniline)

4-Bromo-2-methyl-3-nitroaniline is a halogenated nitroaniline derivative with the molecular formula C?H?BrN?O?. This compound serves as a valuable intermediate in organic synthesis, particularly in the preparation of dyes, pharmaceuticals, and agrochemicals. Its bromo and nitro functional groups enhance reactivity, enabling selective substitution or reduction reactions. The methyl group contributes to steric and electronic effects, influencing regioselectivity in further transformations. The compound exhibits moderate stability under standard conditions, making it suitable for controlled synthetic applications. Its well-defined structure and purity are critical for reproducibility in research and industrial processes. Proper handling is advised due to potential sensitivity to light and heat.
4-bromo-2-methyl-3-nitroaniline structure
414868-82-9 structure
Product Name:4-bromo-2-methyl-3-nitroaniline
CAS No:414868-82-9
MF:C7H7BrN2O2
MW:231.046680688858
CID:1011614
PubChem ID:22712339
Update Time:2025-06-06

4-bromo-2-methyl-3-nitroaniline Chemical and Physical Properties

Names and Identifiers

    • 4-bromo-2-methyl-3-nitroaniline
    • SCHEMBL6786414
    • DTXSID60627691
    • NPLDFXDXQWVDGE-UHFFFAOYSA-N
    • 414868-82-9
    • MDL： MFCD11846013
    • Inchi： 1S/C7H7BrN2O2/c1-4-6(9)3-2-5(8)7(4)10(11)12/h2-3H,9H2,1H3
    • InChI Key： NPLDFXDXQWVDGE-UHFFFAOYSA-N
    • SMILES： BrC1=CC=C(C(C)=C1[N+](=O)[O-])N

Computed Properties

  • Exact Mass: 229.96909g/mol
  • Monoisotopic Mass: 229.96909g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 183
  • 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: 2.1
  • Topological Polar Surface Area: 71.8?2

4-bromo-2-methyl-3-nitroaniline Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Fluorochem
037670-250mg
4-Bromo-2-methyl-3-nitroaniline
 414868-82-9
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 ￡31.00 2022-03-01
Fluorochem
037670-1g
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1g
 ￡59.00 2022-03-01
Fluorochem
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Alichem
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4-Bromo-2-methyl-3-nitroaniline
 414868-82-9 97%
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 $1534.70 2023-09-01
A2B Chem LLC
AF85757-250mg
4-Bromo-2-methyl-3-nitroaniline
 414868-82-9 99%
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 $132.00 2024-04-20
A2B Chem LLC
AF85757-1g
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 414868-82-9 99%
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 $163.00 2024-04-20
A2B Chem LLC
AF85757-5g
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 414868-82-9 99%
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 $348.00 2024-04-20
A2B Chem LLC
AF85757-25g
4-Bromo-2-methyl-3-nitroaniline
 414868-82-9 99%
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 $913.00 2024-04-20
A2B Chem LLC
AF85757-100g
4-Bromo-2-methyl-3-nitroaniline
 414868-82-9 99%
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SHANG HAI HAO HONG Biomedical Technology Co., Ltd.
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4-Bromo-2-methyl-3-nitroaniline
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