Dibromofluoroacetic acid

Base Information

• Chemical Name: Dibromofluoroacetic acid
• CAS No.: 353-99-1
• Molecular Formula: C2H Br2 F O2
• Molecular Weight: 235.835
• Hs Code.: 2915900090
• DSSTox Substance ID: DTXSID40188811
• Wikidata: Q83060660
• Mol file: 353-99-1.mol

Synonyms:Dibromofluoroacetic acid;353-99-1;2,2-dibromo-2-fluoroacetic acid;SCHEMBL3286152;DTXSID40188811;2,2-dibromo-2-fluoro-acetic acid;MFCD00069082;AKOS025310366;CS-0358923;FT-0624670;A822771;[[[2-[(Methoxycarbonyl)amino]phenyl]amino]thioxomethyl]-carbamicacidmethylester

Chemical Property of Dibromofluoroacetic acid

Chemical Property:

• Melting Point: 26°C
• Refractive Index: 1.4800 (estimate)
• Boiling Point: 130/60mm
• PKA: 0.43±0.10(Predicted)
• Flash Point: 69.3°C
• PSA: 37.30000
• Density: 2.678g/cm³
• LogP: 1.48410
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 235.83068
• Heavy Atom Count: 7
• Complexity: 91.7

Purity/Quality:

98%Min ^*data from raw suppliers

Dibromofluoroacetic acid 97% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Dibromofluoroacetic acid

There total 4 articles about Dibromofluoroacetic acid 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:

ethyl dibromofluoroacetate (565-53-7) → dibromofluoroacetic acid (353-99-1)

Guidance literature:

With formic acid;

Reference yield:

sodium dibromofluoroacetate → dibromofluoroacetic acid (353-99-1)

Guidance literature:

With hydrogenchloride; In diethyl ether; Inert atmosphere;

DOI:10.1021/ol3024264

Reference yield:

formic acid (64-18-6) + ethyl dibromofluoroacetate (565-53-7) → dibromofluoroacetic acid (353-99-1)

Guidance literature:

With water;

upstream raw materials:

formic acid

ethyl dibromofluoroacetate

Downstream raw materials:

dibromofluoromethane

Refernces

• 1、 Ivashkin, Pavel,Couve-Bonnaire, Samuel,Jubault, Philippe,Pannecoucke, Xavier. "Asymmetric synthesis of cyclopropanes with a monofluorinated quaternary stereocenter". supporting information. p. 5130 - 5133. Retrieved 2013/01/15.