Cas no 867-54-9 (1,1-dibromoacetone)

1,1-dibromoacetone structure
1,1-dibromoacetone structure
Product Name:1,1-dibromoacetone
CAS No:867-54-9
MF:C3H4Br2O
MW:215.871259689331
CID:1006209
PubChem ID:540118
Update Time:2025-09-26

1,1-dibromoacetone Chemical and Physical Properties

Names and Identifiers

    • 1,1-dibromoacetone
    • 1,1-dibromopropan-2-one
    • AKOS015918448
    • CS-0128448
    • 867-54-9
    • 1,1-Dibromoacetone #
    • dibromopropanone
    • J624SZ77MM
    • DTXSID9021558
    • CHEBI:184707
    • HY-133622
    • EN300-6998405
    • 1,1-Dibromo-2-propanone
    • 1,1-Dibromopropanone
    • 2-Propanone, 1,1-dibromo-
    • 1,1-Dibromopropanone 1,1-Dibromoacetone
    • SCHEMBL647006
    • NS00004908
    • DIBROMOACETONE
    • DB-336900
    • Inchi: 1S/C3H4Br2O/c1-2(6)3(4)5/h3H,1H3
    • InChI Key: ZABBFAHZPHMIJC-UHFFFAOYSA-N
    • SMILES: BrC(C(C)=O)Br

Computed Properties

  • Exact Mass: 215.861
  • Monoisotopic Mass: 213.863
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 6
  • Rotatable Bond Count: 1
  • Complexity: 59.8
  • 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: 1.6
  • Topological Polar Surface Area: 17.1?2

Experimental Properties

  • Density: 2.118
  • Boiling Point: 186.1°Cat760mmHg
  • Flash Point: 84.6°C

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1,1-dibromoacetone Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Hydrogen tribromide, compd. with N,N-dimethylacetamide (1:2) Solvents: Methanol
Reference
Selective monobromination of ketones by bis(dimethylacetamide)hydrogen tribromide
Rodygin, M. Yu.; et al, Zhurnal Organicheskoi Khimii, 1994, 30(6), 827-32

Production Method 2

Reaction Conditions
1.1 Reagents: Seleninyl bromide Solvents: Carbon tetrachloride
Reference
Halogenation of aldehydes and ketones by selenium(IV) oxyhalides generated in-situ from selenium dioxide and halotrimethylsilanes
Lee, Jong Gun; et al, Bulletin of the Korean Chemical Society, 1995, 16(4), 349-55

Production Method 3

Reaction Conditions
1.1 Reagents: Hydrochloric acid Solvents: Water
1.2 Reagents: Bromine
Reference
Reaction of sulfur tetrafluoride with 1,3-dihaloacetones. Fluoroalkylation of benzene as evidence of participation of fluorocarbocations in the reaction
Wielgat, J.; et al, Journal of Fluorine Chemistry, 1987, 35(4), 643-52

Production Method 4

Reaction Conditions
1.1 Reagents: Hydrogen peroxide ,  Potassium bromide Catalysts: Chloroperoxidase Solvents: Water ;  30 min, pH 3, rt
Reference
Halogenated ketones and aldehydes and their use as reactants for other products
, European Patent Organization, , ,

Production Method 5

Reaction Conditions
1.1 Reagents: Hydrogen tribromide, compd. with N,N-dimethylacetamide (1:2) Solvents: Methanol
2.1 Reagents: Hydrogen tribromide, compd. with N,N-dimethylacetamide (1:2) Solvents: Methanol
Reference
Selective monobromination of ketones by bis(dimethylacetamide)hydrogen tribromide
Rodygin, M. Yu.; et al, Zhurnal Organicheskoi Khimii, 1994, 30(6), 827-32

Production Method 6

Reaction Conditions
1.1 Reagents: Oxygen ,  Hydrogen bromide Catalysts: Tetraglyme ,  Molybdovanadophosphoric acid (H5PMo10V2O40) Solvents: 1,2-Dichloroethane
Reference
Oxybromination catalyzed by the heteropolyanion compound H5PMo10V2O40 in an organic medium: selective para-bromination of phenol
Neumann, Ronny; et al, Journal of the Chemical Society, 1988, (19), 1285-7

Production Method 7

Reaction Conditions
1.1 Reagents: Hydrogen peroxide ,  Potassium bromide Catalysts: Chloroperoxidase Solvents: Water ;  30 min, pH 4, rt
Reference
Halogenated ketones and aldehydes and their use as reactants for other products
, European Patent Organization, , ,

1,1-dibromoacetone Preparation Products

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(CAS:867-54-9)Halauxifen-methyl
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Quantity:10G;1KG
Purity:99%
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