(2-Fluoroethyl)benzene

Base Information

• Chemical Name: (2-Fluoroethyl)benzene
• CAS No.: 458-87-7
• Molecular Formula: C8H9F
• Molecular Weight: 124.158
• NSC Number: 142235,142236
• DSSTox Substance ID: DTXSID00963444
• Nikkaji Number: J647.647C
• Mol file: 458-87-7.mol

Synonyms:(2-fluoroethyl)benzene;2-Fluoro ethylbenzene;458-87-7;50561-93-8;NSC142235;(2-Fluoro-ethyl)-benzene;Benzene, (2-fluoroethyl)-;SCHEMBL128225;DTXSID00963444;VEEYKGRLIXCNCZ-UHFFFAOYSA-N;MFCD23160359;NSC142236;NSC-142235;NSC-142236

Chemical Property of (2-Fluoroethyl)benzene

Chemical Property:

• Vapor Pressure: 3.74mmHg at 25°C
• Boiling Point: 156.3°Cat760mmHg
• Flash Point: 38°C
• Density: 0.972g/cm³
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 124.068828449
• Heavy Atom Count: 9
• Complexity: 65

Purity/Quality:

90%,98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CCF

Technology Process of (2-Fluoroethyl)benzene

There total 22 articles about (2-Fluoroethyl)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: 90.0%

2-phenylethanol (60-12-8) → 1-fluoro-2-phenylethane (458-87-7)

Guidance literature:

With hexafluoropropyldiethylamine; In diethyl ether; for 2h; Heating;

DOI:10.1016/S0022-1139(00)82723-2

Reference yield: 90.0%

2-phenethyl iodide (17376-04-4) → 1-fluoro-2-phenylethane (458-87-7)

Guidance literature:

With xenon difluoride; In chloroform-d1; at 20 ℃; for 4h;

DOI:10.1016/S0022-1139(99)00234-1

Reference yield: 88.0%

2,4,6-Trimethyl-benzenesulfonic acid phenethyl ester (116113-96-3) → styrene (100-42-5,25038-60-2,25247-68-1,28213-80-1,28325-75-9,79637-11-9,9003-53-6) + 2-phenylethanol (60-12-8) + 1-fluoro-2-phenylethane (458-87-7)

Guidance literature:

With potassium fluoride; In various solvent(s); at 60 - 65 ℃; for 72h; Yields of byproduct given;

DOI:10.1055/s-1987-28123

upstream raw materials:

2-phenylethanol

2-phenylethyl tosylate

2-phenylethyl mesylate

2-phenylethyl chloride

Downstream raw materials:

2-phenethyl iodide

2-phenylethyl chloride

1-phenyl-2-bromoethane

1-methyl-4-(4-phenylbut-1-yn-1-yl)benzene