Bromofluoroacetamide

Base Information

• Chemical Name: Bromofluoroacetamide
• CAS No.: 430-91-1
• Molecular Formula: C₂H₃BrFNO
• Molecular Weight: 155.954
• Hs Code.: 2924199090
• European Community (EC) Number: 813-575-5
• DSSTox Substance ID: DTXSID50382005
• Mol file: 430-91-1.mol

Synonyms:Bromofluoroacetamide;2-bromo-2-fluoroacetamide;430-91-1;C2H3BrFNO;SCHEMBL10639212;DTXSID50382005;MFCD04038267;AKOS006229010;2-Bromo-2-fluoroacetamide, AldrichCPR;CS-0216247;FT-0676789;EN300-371755;A826149

Chemical Property of Bromofluoroacetamide

Chemical Property:

• Vapor Pressure: 0.0175mmHg at 25°C
• Melting Point: 44
• Refractive Index: 1.47
• Boiling Point: 254.2°Cat760mmHg
• PKA: 13.18±0.50(Predicted)
• Flash Point: 107.5°C
• PSA: 43.09000
• Density: 1.916g/cm³
• LogP: 0.86250
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 154.93820
• Heavy Atom Count: 6
• Complexity: 66.6

Purity/Quality:

98%Min ^*data from raw suppliers

Bromofluoroacetamide ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38-36
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C(=O)N)(F)Br

Technology Process of Bromofluoroacetamide

There total 4 articles about Bromofluoroacetamide 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: 83.0%

ethyl bromofluoroacetate (401-55-8) → bromofluoroacetonitrile (96449-14-8) + bromofluoroacetamide (430-91-1)

Guidance literature:

With ammonium hydroxide;

Reference yield:

ethyl bromofluoroacetate (401-55-8) → bromofluoroacetamide (430-91-1)

Guidance literature:

With 2,2,2-trifluoroacetamide; an appropriate base; In tetrahydrofuran; at 0 - 20 ℃; Yield given;

Reference yield:

ammonium hydroxide (1336-21-6) + ethyl bromofluoroacetate (401-55-8) → bromofluoroacetamide (430-91-1)

Guidance literature:

upstream raw materials:

ethyl bromofluoroacetate

ammonium hydroxide

Downstream raw materials:

bromofluoroacetonitrile

Refernces

• 1、 Takeuchi, Yoshio,Nabetani, Manabu,Takagi, Kumiko,Hagi, Toru,Koizumi, Toru. "Synthetic Studies for Novel Structure of α-Nitrogenously Functionalized α-Fluorocarboxylic Acids. Part 1. The First Synthesis and Reactions of N-Protected α-Fluoroglycines". . p. 49 - 53. Retrieved 2007/10/02.
• 2、 -. "Halonitriles, their preparation and use to make halopyridines". . . Retrieved 2008/06/13.