Dibromoacetaldehyde

Base Information

• Chemical Name: Dibromoacetaldehyde
• CAS No.: 3039-13-2
• Molecular Formula: C2H2 Br2 O
• Molecular Weight: 201.845
• Hs Code.: 2913000090
• DSSTox Substance ID: DTXSID60184476
• Nikkaji Number: J80.624B
• Wikidata: Q77484166
• Metabolomics Workbench ID: 110100
• Mol file: 3039-13-2.mol

Synonyms:DIBROMOACETALDEHYDE;3039-13-2;2,2-dibromoacetaldehyde;Acetaldehyde, dibromo-;Acetaldehyde, 2,2-dibromo-;dibromacetaldehyd;SCHEMBL3897423;DTXSID60184476;XIVPMNIFAAGBOY-UHFFFAOYSA-N;dibromoacetaldehyde (technical grade);AKOS040758028;HY-133647;CS-0128473;EN300-2287794

Chemical Property of Dibromoacetaldehyde

Chemical Property:

• Vapor Pressure: 7.41mmHg at 25°C
• Boiling Point: 136.3°Cat760mmHg
• Flash Point: 68.7°C
• PSA: 17.07000
• Density: 2.357g/cm³
• LogP: 1.30120
• Storage Temp.: Hygroscopic, Refrigerator, under inert atmosphere
• Solubility.: DMSO (Very Slightly), Methanol (Slightly, Heated)
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 201.84519
• Heavy Atom Count: 5
• Complexity: 34.6

Purity/Quality:

95%+ or 98%+ ^*data from raw suppliers

Dibromoacetaldehyde(TechnicalGrade) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(=O)C(Br)Br
• Uses: Dibromoacetaldehyde is used in analytical studies for micro liquid-liquid extraction combined with large volume injection gas chromatography-mass spectrometry for determination of haloacetaldehydes in treated water.

Technology Process of Dibromoacetaldehyde

There total 9 articles about Dibromoacetaldehyde which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

bromal (115-17-3) + dihydrogen peroxide (7722-84-1) + iron(II) sulfate → dibromoacetaldehyde (3039-13-2) + tribromoacetic acid (75-96-7) + hydrogen bromide (10035-10-6,12258-64-9)

Guidance literature:

DOI:10.1139/v57-195

Reference yield:

2,2,2-tribromoethanol (75-80-9) + water (7732-18-5) → dibromoacetaldehyde (3039-13-2) + hydrogen bromide (10035-10-6,12258-64-9)

Guidance literature:

at 70 ℃;

Reference yield:

1,1-dibromo-2,2-diethoxy-ethane (761-17-1) + bromine (7726-95-6) → bromal (115-17-3) + dibromoacetaldehyde (3039-13-2) + 2,2-diethoxy-1,1,1-tribromo-ethane (374077-95-9) + ethyl dibromoacetate (617-33-4)

Guidance literature:

Prod 5:Aethylbromid;

upstream raw materials:

bromal

2-tert-butoxy-4,5-benzo-1,3,2-dioxaphospholane

bromine

paracetaldehyde

Downstream raw materials:

glyoxime

1,1-dibromo-2,2-bis-(4-methoxy-phenyl)-ethane

glyoxal bis-(2,4-dinitrophenylhydrazone)

1,1-bis-(4-ethoxy-phenyl)-2,2-dibromo-ethane