Cas no 116529-60-3 (2-Bromo-3,5-dinitrobenzoic acid)

2-Bromo-3,5-dinitrobenzoic acid structure
116529-60-3 structure
Product Name:2-Bromo-3,5-dinitrobenzoic acid
CAS No:116529-60-3
MF:C7H3BrN2O6
MW:291.012521028519
MDL:MFCD00458630
CID:133747
PubChem ID:3769937
Update Time:2025-04-19

2-Bromo-3,5-dinitrobenzoic acid Chemical and Physical Properties

Names and Identifiers

    • 2-Bromo-3,5-dinitrobenzoic acid
    • Benzoic acid,2-bromo-3,5-dinitro-
    • 2-Brom-3,5-dinitro-benzoesaeure
    • Benzoic acid,2-bromo-3,5-dinitro
    • STK365755
    • OR3735
    • Benzoic acid, 2-bromo-3,5-dinitro-
    • AS00958
    • AK105137
    • AB0030588
    • AX8225447
    • X2794
    • ST51057593
    • ST24040071
    • CK2225
    • AMY2965
    • SY109983
    • MFCD00458630
    • SCHEMBL13338213
    • 2-Bromo-3,5-dinitrobenzoic acid, 95%, AldrichCPR
    • CS-0186573
    • DTXSID40396171
    • AS-18831
    • 116529-60-3
    • 2-Bromo-3,5-dinitrobenzoicacid
    • AC-28564
    • AKOS005442714
    • DTXCID70347030
    • MDL: MFCD00458630
    • Inchi: 1S/C7H3BrN2O6/c8-6-4(7(11)12)1-3(9(13)14)2-5(6)10(15)16/h1-2H,(H,11,12)
    • InChI Key: BBKJKUFARRJPRP-UHFFFAOYSA-N
    • SMILES: BrC1C(=CC(=CC=1C(=O)O)[N+](=O)[O-])[N+](=O)[O-]

Computed Properties

  • Exact Mass: 289.91700
  • Monoisotopic Mass: 289.917
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 1
  • Complexity: 324
  • 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
  • Topological Polar Surface Area: 129
  • XLogP3: 1.8

Experimental Properties

  • Density: 2.051
  • Melting Point: 213 oC
  • Boiling Point: 382.6°Cat760mmHg
  • Flash Point: 185.2°C
  • Refractive Index: 1.685
  • PSA: 128.94000
  • LogP: 3.01010
  • Sensitiveness: Light Sensitive

2-Bromo-3,5-dinitrobenzoic acid Security Information

  • Hazard Statement: Irritant
  • Hazardous Material Identification: Xi

2-Bromo-3,5-dinitrobenzoic acid Pricemore >>

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2-Bromo-3,5-dinitrobenzoic acid Production Method

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