Bromodifluoroacetyl bromide

Base Information

• Chemical Name: Bromodifluoroacetyl bromide
• CAS No.: 1796-12-9
• Molecular Formula: C2Br2F2O
• Molecular Weight: 237.826
• Hs Code.: 2915900090
• European Community (EC) Number: 671-810-5
• DSSTox Substance ID: DTXSID30371235
• Wikidata: Q82158513
• Mol file: 1796-12-9.mol

Synonyms:Bromodifluoroacetyl bromide;1796-12-9;2-bromo-2,2-difluoroacetyl bromide;Bromodifluoroacetylbromide;MFCD00153688;Acetyl bromide, 2-bromo-2,2-difluoro-;C2Br2F2O;Bromo(difluoro)acetyl bromide;SCHEMBL2241749;DTXSID30371235;FRTUTWXODRBCOL-UHFFFAOYSA-N;AKOS005063935;FT-0623241;A812468;J-011466

Chemical Property of Bromodifluoroacetyl bromide

Chemical Property:

• Vapor Pressure: 77.5mmHg at 25°C
• Refractive Index: 1.4145
• Boiling Point: 82.8 °C at 760 mmHg
• Flash Point: 3.9 °C
• PSA: 17.07000
• Density: 2.478 g/cm³
• LogP: 1.89560
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 237.82635
• Heavy Atom Count: 7
• Complexity: 91.7

Purity/Quality:

99%, ^*data from raw suppliers

BromodifluoroacetylBromide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(=O)(C(F)(F)Br)Br

Technology Process of Bromodifluoroacetyl bromide

There total 3 articles about Bromodifluoroacetyl bromide 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:

1,1-dibromo-2,2-difluoroethylene (430-85-3) → dibromofluoroacetyl fluoride (353-98-0) + bromodifluoroacetylbromide (1796-12-9)

Guidance literature:

With oxygen; at -15 - -10 ℃;

Reference yield:

Methyl-(1,2-dibrom-1,2,2-trifluoraethyl)-aether (15080-20-3) → bromodifluoroacetylbromide (1796-12-9)

Guidance literature:

With chlorosulfonic acid;

DOI:10.1021/jo01266a069

Reference yield:

→ bromodifluoroacetylbromide (1796-12-9)

Guidance literature:

α,α'-Dibrom-tetrafluoracetanhydrid, Erhitzen <300grad>;

DOI:10.1021/jo01258a100

upstream raw materials:

Methyl-(1,2-dibrom-1,2,2-trifluoraethyl)-aether

1,1-dibromo-2,2-difluoroethylene

Downstream raw materials:

2-bromo-2,2-difluoro-N-(2-hydroxy-5-nitrophenyl)acetamide

Refernces

• 1、 -. "Production process of ethyl bromodifluoroacetate". Paragraph 0026. . Retrieved 2020/12/30.