Cas no 99514-85-9 (Benzamide, N-(2-bromophenyl)-4-nitro-)

Benzamide, N-(2-bromophenyl)-4-nitro-, is a brominated and nitrated aromatic amide compound with potential applications in organic synthesis and pharmaceutical research. Its distinct structural features, including the electron-withdrawing nitro group and the bromine substituent, make it a valuable intermediate for constructing complex molecules, particularly in medicinal chemistry and agrochemical development. The compound’s reactivity allows for selective functionalization, enabling further derivatization for targeted applications. Its crystalline solid form ensures stability under standard storage conditions, facilitating handling in laboratory settings. Researchers may find utility in its role as a precursor for heterocyclic compounds or in cross-coupling reactions, leveraging its halogen and nitro functionalities for advanced synthetic pathways.
Benzamide, N-(2-bromophenyl)-4-nitro- structure
99514-85-9 structure
Product Name:Benzamide, N-(2-bromophenyl)-4-nitro-
CAS No:99514-85-9
MF:C13H9BrN2O3
MW:321.126162290573
CID:1993637
PubChem ID:2056203
Update Time:2025-10-10

Benzamide, N-(2-bromophenyl)-4-nitro- Chemical and Physical Properties

Names and Identifiers

    • Benzamide, N-(2-bromophenyl)-4-nitro-
    • SR-01000416248-1
    • FRFOXBSTPQRRJL-UHFFFAOYSA-N
    • SR-01000416248
    • STK402024
    • CBDivE_013079
    • Cambridge id 5273912
    • AKOS000179915
    • 99514-85-9
    • CS-0329963
    • 4-Nitrobenzamide, N-(2-bromophenyl)-
    • N-(2-bromophenyl)-4-nitrobenzamide
    • Inchi： 1S/C13H9BrN2O3/c14-11-3-1-2-4-12(11)15-13(17)9-5-7-10(8-6-9)16(18)19/h1-8H,(H,15,17)
    • InChI Key： FRFOXBSTPQRRJL-UHFFFAOYSA-N
    • SMILES： BrC1C=CC=CC=1NC(C1C=CC(=CC=1)[N+](=O)[O-])=O

Computed Properties

  • Exact Mass: 319.97965g/mol
  • Monoisotopic Mass: 319.97965g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 2
  • Complexity: 337
  • 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: 2.9
  • Topological Polar Surface Area: 74.9?2

Experimental Properties

  • Density: 1.6±0.1 g/cm3
  • Boiling Point: 379.2±27.0 °C at 760 mmHg
  • Flash Point: 183.1±23.7 °C
  • Vapor Pressure: 0.0±0.9 mmHg at 25°C

Benzamide, N-(2-bromophenyl)-4-nitro- Security Information

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