1-(1-Chloroethyl)-4-fluorobenzene

Base Information

• Chemical Name: 1-(1-Chloroethyl)-4-fluorobenzene
• CAS No.: 456-16-6
• Molecular Formula: C8H8 Cl F
• Molecular Weight: 158.603
• Hs Code.: 2903999090
• European Community (EC) Number: 830-420-7
• DSSTox Substance ID: DTXSID00406927
• Mol file: 456-16-6.mol

Synonyms:1-(1-chloroethyl)-4-fluorobenzene;456-16-6;1-(1-Chloro-ethyl)-4-fluoro-benzene;MFCD06376752;Benzene, 1-(1-chloroethyl)-4-fluoro-;SCHEMBL930683;DTXSID00406927;ZWOBTWLZWFIELC-UHFFFAOYSA-N;AC6174;AKOS008968606;AM100835;BS-13188;SY029740;EN300-11932;A872353;Z57980489;F8880-8603

Chemical Property of 1-(1-Chloroethyl)-4-fluorobenzene

Chemical Property:

• Vapor Pressure: 1.04mmHg at 25°C
• Refractive Index: 1.498
• Boiling Point: 183.7°Cat760mmHg
• Flash Point: 70.9°C
• PSA: 0.00000
• Density: 1.144g/cm³
• LogP: 3.12550
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 158.0298561
• Heavy Atom Count: 10
• Complexity: 97.4

Purity/Quality:

98%min ^*data from raw suppliers

1-(1-chloroethyl)-4-fluorobenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 1-(1-Chloroethyl)-4-fluorobenzene

There total 5 articles about 1-(1-Chloroethyl)-4-fluorobenzene 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: 99.0%

1-(4-Fluorophenyl)ethanol (403-41-8) → 1-(1-chloroethyl)-4-fluorobenzene (456-16-6)

Guidance literature:

With 1,3,5-trichloro-2,4,6-triazine; dimethyl sulfoxide; at 20 ℃; for 0.666667h; chemoselective reaction;

DOI:10.1055/s-0028-1083243

Reference yield: 93.0%

para-fluorostyrene (405-99-2) → 1-(1-chloroethyl)-4-fluorobenzene (456-16-6)

Guidance literature:

With hydrogenchloride; 1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone; acetic acid; at 20 ℃; regioselective reaction;

DOI:10.1039/c7gc03665e

Reference yield: 85.0%

1-(4-Fluorophenyl)ethanol (403-41-8) → 1-(1-chloroethyl)-4-fluorobenzene (456-16-6) + 4,4'-(1,1'-oxybis(ethane-1,1-diyl))bis(fluorobenzene) (2063-74-3)

Guidance literature:

With chloro-trimethyl-silane; In neat (no solvent); at 20 ℃; for 3.5h; chemoselective reaction; Green chemistry;

DOI:10.1016/j.tetlet.2016.04.083

upstream raw materials:

1-(4-Fluorophenyl)ethanol

para-fluorostyrene

Downstream raw materials:

1-(4-Fluorophenyl)ethanol

1-(4-fluorophenyl)ethyl methyl ether

1-(4-fluorophenyl)ethyl ethyl ether

rac-1-(4-fluorophenyl)ethyl acetate

Refernces

• 1、 -. "NOVEL THYROMIMETICS". Page/Page column 154. . Retrieved 2020/09/19.
• 2、 -. "IMIDAZO-PYRIDINE COMPOUNDS AS PAD INHIBITORS". Paragraph 000133; 000321. . Retrieved 2019/05/10.