Cas no 90004-93-6 (1-(2-Bromo-4-nitrophenyl)ethanone)

1-(2-Bromo-4-nitrophenyl)ethanone structure
90004-93-6 structure
Product Name:1-(2-Bromo-4-nitrophenyl)ethanone
CAS No:90004-93-6
MF:C8H6BrNO3
MW:244.042141437531
MDL:MFCD00152297
CID:861280
PubChem ID:185000
Update Time:2024-10-26

1-(2-Bromo-4-nitrophenyl)ethanone Chemical and Physical Properties

Names and Identifiers

    • 1-(2-Bromo-4-nitrophenyl)ethanone
    • acetophenone, 2'-bromo-4'-nitro-
    • 1-(2-Bromo-4-nitrophenyl)ethanone (ACI)
    • Acetophenone, 2′-bromo-4′-nitro- (7CI)
    • 1-(2-Bromo-4-nitro-phenyl)-ethanone
    • 1-(2-Bromo-4-nitrophenyl)ethan-1-one
    • 2′-Bromo-4′-nitroacetophenone
    • AKOS022183069
    • EN300-300129
    • Ethanone, 1-(2-bromo-4-nitrophenyl)-
    • DTXSID20237992
    • AS-42944
    • MFCD00152297
    • 2'-Bromo-4'-nitroacetophenone
    • CS-0130102
    • GDJSHDDCLWALGA-UHFFFAOYSA-N
    • DA-31485
    • 90004-93-6
    • SCHEMBL74700
    • MDL: MFCD00152297
    • Inchi: 1S/C8H6BrNO3/c1-5(11)7-3-2-6(10(12)13)4-8(7)9/h2-4H,1H3
    • InChI Key: GDJSHDDCLWALGA-UHFFFAOYSA-N
    • SMILES: O=C(C)C1C(Br)=CC([N+](=O)[O-])=CC=1

Computed Properties

  • Exact Mass: 242.953
  • Monoisotopic Mass: 242.953
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 226
  • 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: 62.9?2

Experimental Properties

  • Density: 1.637
  • Boiling Point: 324.1°C at 760 mmHg
  • Flash Point: 149.8°C
  • Refractive Index: 1.593

1-(2-Bromo-4-nitrophenyl)ethanone Pricemore >>

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1-(2-Bromo-4-nitrophenyl)ethanone Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Bromine ,  Bromine trifluoride Solvents: CFC 113
Reference
Bromination of deactivated aromatics using bromine trifluoride without a catalyst
Rozen, Shlomo; Lerman, Ori, Journal of Organic Chemistry, 1993, 58(1), 239-40

Production Method 2

Reaction Conditions
1.1 Reagents: Bromine Solvents: Dichloromethane ;  2 h, rt
Reference
Reaction of ketone hydrazones with TeCl4: isolation and reactions of novel divinyl telluride
Okuma, Kentaro; Qu, Yuxuan; Suetome, Aoi; Nagahora, Noriyoshi, Organic & Biomolecular Chemistry, 2020, 18(24), 4583-4589

1-(2-Bromo-4-nitrophenyl)ethanone Raw materials

1-(2-Bromo-4-nitrophenyl)ethanone Preparation Products

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