Cas no 1150617-53-0 (3-Bromo-N-methyl-2-nitroaniline)

3-Bromo-N-methyl-2-nitroaniline is a halogenated nitroaniline derivative with a molecular formula of C?H?BrN?O?. This compound features a bromo substituent at the 3-position and a nitro group at the 2-position relative to the aniline nitrogen, which is methylated. Its distinct structure makes it valuable as an intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and dyes. The bromine and nitro groups enhance reactivity, facilitating further functionalization via substitution or reduction reactions. The compound exhibits moderate stability under standard conditions, though it should be handled with care due to potential sensitivity to light and heat. Its well-defined reactivity profile supports precise synthetic applications.
3-Bromo-N-methyl-2-nitroaniline structure
1150617-53-0 structure
Product Name:3-Bromo-N-methyl-2-nitroaniline
CAS No:1150617-53-0
MF:C7H7BrN2O2
MW:231.046680688858
MDL:MFCD12024389
CID:1015688
PubChem ID:40151758
Update Time:2025-06-28

3-Bromo-N-methyl-2-nitroaniline Chemical and Physical Properties

Names and Identifiers

    • 3-bromo-N-methyl-2-nitrobenzenamine
    • 3-Bromo-N-methyl-2-nitroaniline
    • (3-bromo-2-nitrophenyl)methylamine
    • 3-bromanyl-N-methyl-2-nitro-aniline
    • DTXSID50653904
    • PS-5676
    • 1150617-53-0
    • SB77024
    • DB-099177
    • AWB61753
    • MFCD12024389
    • AKOS015890882
    • CS-0210822
    • A803291
    • SCHEMBL7881974
    • Benzenamine, 3-bromo-N-methyl-2-nitro-
    • F83042
    • 3-bromo-N-methyl-2-nitro-aniline
    • DK-0042
    • MDL： MFCD12024389
    • Inchi： 1S/C7H7BrN2O2/c1-9-6-4-2-3-5(8)7(6)10(11)12/h2-4,9H,1H3
    • InChI Key： CSEVRXHXBSVRQN-UHFFFAOYSA-N
    • SMILES： BrC1=CC=CC(=C1[N+](=O)[O-])NC

Computed Properties

  • Exact Mass: 229.96900
  • 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: 2
  • Complexity: 171
  • 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: 3
  • Topological Polar Surface Area: 57.8?2

Experimental Properties

  • PSA: 57.85000
  • LogP: 2.99520

3-Bromo-N-methyl-2-nitroaniline Pricemore >>

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eNovation Chemicals LLC
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3-Bromo-N-methyl-2-nitroaniline Production Method

3-Bromo-N-methyl-2-nitroaniline Related Literature

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