Bromofluoroacetic acid

Base Information

• Chemical Name: Bromofluoroacetic acid
• CAS No.: 359-25-1
• Molecular Formula: C2H2BrFO2
• Molecular Weight: 156.939
• Hs Code.: 29159000
• European Community (EC) Number: 640-667-0
• DSSTox Substance ID: DTXSID20382077
• Nikkaji Number: J1.021.306A
• Mol file: 359-25-1.mol

Synonyms:Bromofluoroacetic acid;2-bromo-2-fluoroacetic acid;359-25-1;BROMOFLUOROACETICACID;MFCD07784239;C2H2BrFO2;Bromo(fluoro) acetic acid;SCHEMBL1421383;DTXSID20382077;AC1541;AKOS006287137;CS-12217;SY040308;CS-0356310;A924014

Chemical Property of Bromofluoroacetic acid

Chemical Property:

• Vapor Pressure: 0.362mmHg at 25°C
• Melting Point: 50°C
• Refractive Index: 1.463
• Boiling Point: 183 °C at 760 mmHg
• PKA: 1.69±0.10(Predicted)
• Flash Point: 67.5 °C
• PSA: 37.30000
• Density: 2.087 g/cm³
• LogP: 0.76150
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 155.92222
• Heavy Atom Count: 6
• Complexity: 64.6

Purity/Quality:

98%Min ^*data from raw suppliers

BromofluoroaceticAcid ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C(=O)O)(F)Br

Technology Process of Bromofluoroacetic acid

There total 4 articles about Bromofluoroacetic 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: 52.0%

ethyl bromofluoroacetate (401-55-8) → bromo-fluoroacetic acid (359-25-1)

Guidance literature:

With potassium hydroxide; In water; at 0 ℃; for 90h;

DOI:10.1016/S0957-4166(02)00195-7

Reference yield:

→ bromo-fluoroacetic acid (359-25-1)

Guidance literature:

With Methamphetamin;

Reference yield:

1,1,2-trifluoroethylene (359-11-5) → bromo-fluoroacetic acid (359-25-1)

Guidance literature:

With mercury(II) diacetate; bromine;

upstream raw materials:

ethyl bromofluoroacetate

1,1,2-trifluoroethylene

Downstream raw materials:

hydrogen fluoride

hydrogen bromide

Glyoxilic acid

2-fluoro-2-(2,4,5-trichlorophenoxy)acetic acid

Refernces

• 1、 Boussac, Helene,Crassous, Jeanne,Dutasta, Jean-Pierre,Grosvalet, Laurent,Thozet, Alain. "Resolution and absolute configuration of bromofluoroacetic acid". . p. 975 - 981. Retrieved 2002.
• 2、 -. "BETA-LACTAMASE INHIBITOR COMPOUNDS". Page/Page column 192. . Retrieved 2018/04/13.