Bromodifluoroacetyl fluoride

Base Information

• Chemical Name: Bromodifluoroacetyl fluoride
• CAS No.: 38126-07-7
• Molecular Formula: C2BrF3O
• Molecular Weight: 176.921
• Hs Code.: 2915900090
• DSSTox Substance ID: DTXSID40378336
• Nikkaji Number: J2.470.697D
• Wikidata: Q72454232
• Mol file: 38126-07-7.mol

Synonyms:BROMODIFLUOROACETYL FLUORIDE;38126-07-7;2-bromo-2,2-difluoroacetyl fluoride;Bromodifluoroacetylfluoride;Bromo(difluoro)acetyl fluoride;MFCD00153689;SCHEMBL4858511;bromodifluoroacetic acid fluoride;DTXSID40378336;REOFZGQDJKOKFI-UHFFFAOYSA-N;2-bromo-2,2-difluoro-acetyl fluoride;AKOS005064063;FT-0623243;A824024;J-519944

Chemical Property of Bromodifluoroacetyl fluoride

Chemical Property:

• Vapor Pressure: 62.9mmHg at 25°C
• Refractive Index: 1.361
• Boiling Point: 87.7 °C at 760 mmHg
• Flash Point: 6.9 °C
• PSA: 17.07000
• Density: 2.005 g/cm³
• LogP: 1.47020
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 175.90846
• Heavy Atom Count: 7
• Complexity: 90.9

Purity/Quality:

99% ^*data from raw suppliers

BROMODIFLUOROACETYL FLUORIDE 95.00% ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

Useful:

• Canonical SMILES: C(=O)(C(F)(F)Br)F

Technology Process of Bromodifluoroacetyl fluoride

There total 3 articles about Bromodifluoroacetyl fluoride 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: 95.0%

hypofluorous acid trifluoromethyl ester (373-91-1) + Bromotrifluoromethane (75-63-8) → Carbonyl fluoride (353-50-4) + carbonyl bromide fluoride (753-56-0) + difluorobromoacetyl fluoride (38126-07-7)

Guidance literature:

With oxygen; at -0.15 ℃; for 0.166667h; gas-phase;

DOI:10.1016/j.molstruc.2006.04.011

Reference yield: 85.0%

1-bromo-1,2,2-trifluoroethene (598-73-2,55157-25-0) → C2Br2F3NO4 + Carbonyl fluoride (353-50-4) + carbonyl bromide fluoride (753-56-0) + difluorobromoacetyl fluoride (38126-07-7)

Guidance literature:

With oxygen; Nitrogen dioxide; at 40.25 ℃; Further byproducts given; gas-phase;

DOI:10.1016/j.molstruc.2006.04.011

Reference yield:

1-bromo-1,2,2-trifluoroethene (598-73-2,55157-25-0) → bromotrifluoroethene epoxide (54577-33-2) + Carbonyl fluoride (353-50-4) + carbonyl bromide fluoride (753-56-0) + difluorobromoacetyl fluoride (38126-07-7)

Guidance literature:

With oxygen; at -0.16 ℃; under 56.5 Torr; Further byproducts.;

DOI:10.1016/j.jfluchem.2006.02.003

upstream raw materials:

hypofluorous acid trifluoromethyl ester

Bromotrifluoromethane

1-bromo-1,2,2-trifluoroethene

Downstream raw materials:

cinnamyl bromodifluoroacetate

allyl bromodifluoroacetate

benzyl 2-bromo-2,2-difluoroacetate

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