2'-Chloro-6'-fluoroacetophenone

Base Information

• Chemical Name: 2'-Chloro-6'-fluoroacetophenone
• CAS No.: 87327-69-3
• Molecular Formula: C8H6 Cl F O
• Molecular Weight: 172.586
• Hs Code.: 2914700090
• European Community (EC) Number: 670-713-5
• DSSTox Substance ID: DTXSID90378568
• Nikkaji Number: J2.686.199C
• Wikidata: Q82168056
• Mol file: 87327-69-3.mol

Synonyms:2'-Chloro-6'-fluoroacetophenone;87327-69-3;1-(2-chloro-6-fluorophenyl)ethanone;2-chloro-6-fluoroacetophenone;1-(2-chloro-6-fluorophenyl)ethan-1-one;Ethanone, 1-(2-chloro-6-fluorophenyl)-;MFCD01631390;SCHEMBL716550;DTXSID90378568;DNVGZKIRMBCQEQ-UHFFFAOYSA-N;AMY14465;CL9265;AKOS005256242;PS-8658;1-(2-chloro-6-fluoro-phenyl)-ethanone;AC-28478;SY025862;1-(2-chloranyl-6-fluoranyl-phenyl)ethanone;CS-0043763;FT-0611849;EN300-63852;A842086;2 inverted exclamation mark -Chloro-6 inverted exclamation mark -fluoroacetophenone

Chemical Property of 2'-Chloro-6'-fluoroacetophenone

Chemical Property:

• Vapor Pressure: 0.506mmHg at 25°C
• Refractive Index: 1.511
• Boiling Point: 191.8 °C at 760 mmHg
• Flash Point: 69.8 °C
• PSA: 17.07000
• Density: 1.258 g/cm³
• LogP: 2.68170
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility.: Sparingly soluble in water.
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 172.0091207
• Heavy Atom Count: 11
• Complexity: 160

Purity/Quality:

98% purity ^*data from raw suppliers

2''-Chloro-6''-fluoroacetophenone ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=C(C=CC=C1Cl)F
• Uses: 2'-Chloro-6'-fluoroacetophenone is used in medicine & organic intermediate.

Technology Process of 2'-Chloro-6'-fluoroacetophenone

There total 4 articles about 2'-Chloro-6'-fluoroacetophenone 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: 92.0%

acetyl chloride (75-36-5) + 1-chloro-2-trimethylsilyl-3-fluorobenzene (133117-45-0) → 1-(2-chloro-6-fluorophenyl)ethan-1-one (87327-69-3)

Guidance literature:

With aluminium trichloride; In dichloromethane; at -40 ℃; for 2h;

DOI:10.1016/S0040-4020(01)80238-6

Reference yield: 62.0%

1-(2-chlorophenyl)ethanone (2142-68-9) → 1-(2-chloro-6-fluorophenyl)ethan-1-one (87327-69-3)

Guidance literature:

With palladium diacetate; silver nitrate; N-fluorobis(benzenesulfon)imide; methyl carbamate; In dichloromethane; at 95 ℃; for 24h; Sealed tube;

DOI:10.1039/d1cc01047f

Reference yield:

concentrated H2 SO4 + 2-chloro-6-fluorobenzonitrile (668-45-1) → 1-(2-chloro-6-fluorophenyl)ethan-1-one (87327-69-3)

Guidance literature:

With methylmagnesium bromide; In ice-water; diethyl ether;

upstream raw materials:

acetyl chloride

1-chloro-2-trimethylsilyl-3-fluorobenzene

3-chlorofluorobenzene

2-chloro-6-fluorobenzonitrile

Downstream raw materials:

2-Bromo-1-(2-chloro-6-fluoro-phenyl)-ethanone

Refernces

• 1、 Bennetau, Bernard,Rajarison, Florent,Dunogues, Jacques,Babin, Pierre. "-". . p. 10843 - 10854. Retrieved 2007/10/02.