(2-Bromo-1,1-difluoroethyl)benzene

Base Information

• Chemical Name: (2-Bromo-1,1-difluoroethyl)benzene
• CAS No.: 108661-89-8
• Molecular Formula: C8H7BrF2
• Molecular Weight: 221.044
• Hs Code.: 2903999090
• European Community (EC) Number: 674-722-5
• DSSTox Substance ID: DTXSID90546649
• Nikkaji Number: J389.706K
• Wikidata: Q82424546
• Mol file: 108661-89-8.mol

Synonyms:(2-bromo-1,1-difluoroethyl)benzene;108661-89-8;(2-bromo-1,1-difluoro-ethyl)-benzene;1-(2-bromo-1,1-difluoroethyl)benzene;(2-bromo-1,1-difluoro-ethyl)benzene;sepazoniumchloride;SCHEMBL2281974;DTXSID90546649;BCP22588;2-Bromo-1,1-(difluoroethyl)benzene;MFCD07777119;AKOS015836031;SB30596;PS-10012;CS-0068865;A20962;G71448;W-204677;2-Bromo-1,1-(difluoroethyl)benzene stabilized over potassium carbonate

Chemical Property of (2-Bromo-1,1-difluoroethyl)benzene

Chemical Property:

• Appearance/Colour: cream
• Vapor Pressure: 0.383mmHg at 25°C
• Melting Point: -26--24℃
• Refractive Index: 1.5131 (589.3 nm 20℃)
• Boiling Point: 204.085 °C at 760 mmHg
• Flash Point: 77.228 °C
• PSA: 0.00000
• Density: 1.502 g/cm³
• LogP: 3.17330
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 219.96992
• Heavy Atom Count: 11
• Complexity: 119

Purity/Quality:

99% ^*data from raw suppliers

(2-Bromo-1,1-difluoroethyl)benzene 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(CBr)(F)F

Technology Process of (2-Bromo-1,1-difluoroethyl)benzene

There total 4 articles about (2-Bromo-1,1-difluoroethyl)benzene 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: 91.0%

α-fluorostyrene (696-31-1) → 2-Bromo-1,1-difluoro-1-phenylethane (108661-89-8)

Guidance literature:

With N-Bromosuccinimide; triethylamine tris(hydrogen fluoride); In dichloromethane; at 25 ℃;

DOI:10.1016/j.tet.2004.06.086

Reference yield:

(2-bromo-1-fluoroethyl)benzene (1786-36-3) → 2-Bromo-1,1-difluoro-1-phenylethane (108661-89-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 81 percent / t-BuOK / tetrahydrofuran / 2 h / 25 °C

2: 91 percent / Et₃N*3HF; N-bromosuccinimide / CH₂Cl₂ / 25 °C

With N-Bromosuccinimide; potassium tert-butylate; triethylamine tris(hydrogen fluoride); In tetrahydrofuran; dichloromethane;

DOI:10.1016/j.tet.2004.06.086

Reference yield:

α-bromoacetophenone (70-11-1) → 2-Bromo-1,1-difluoro-1-phenylethane (108661-89-8)

Guidance literature:

With 4,4'-diaminostilbene-2,2'-disulfonic acid; In benzene; at 65 ℃; for 48h;

DOI:10.1016/S0022-1139(00)81929-6

upstream raw materials:

α-fluorostyrene

α-bromoacetophenone

(2-bromo-1-fluoroethyl)benzene

styrene

Downstream raw materials:

1,1-difluoroethylbenzene

2-acetoxy-1,1-difluoro-1-phenylethane

3-[5-chloro-2-(2,2-difluoro-2-phenyl-ethoxy)-phenoxy]-azetidine-1-carboxylic acid tert-butyl ester

2,2-Difluoro-2-phenyl-1-(phenylthio)ethyl acetate

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