2'-Chloro-5'-fluoroacetophenone

Base Information

• Chemical Name: 2'-Chloro-5'-fluoroacetophenone
• CAS No.: 2965-16-4
• Molecular Formula: C8H6ClFO
• Molecular Weight: 172.586
• Hs Code.: 2914700090
• European Community (EC) Number: 674-889-4
• DSSTox Substance ID: DTXSID30371412
• Nikkaji Number: J265.496B
• Wikidata: Q72450392
• Mol file: 2965-16-4.mol

Synonyms:2'-Chloro-5'-fluoroacetophenone;2965-16-4;1-(2-chloro-5-fluorophenyl)ethanone;2-Chloro-5-fluoroacetophenone;1-(2-chloro-5-fluorophenyl)ethan-1-one;Ethanone, 1-(2-chloro-5-fluorophenyl)-;MFCD00042574;2'-Chloro-5'-fluoro acetophenone;2-chloro-5-fluoro acetophenone;SCHEMBL5884181;2`-Chloro-5`-fluoroacetophenone;DTXSID30371412;AKOS005063625;AC-2846;AC-3613;CS-W002212;PS-8656;SY003104;1-(2-chloranyl-5-fluoranyl-phenyl)ethanone;2'-chloro-5'-fluoroacetophenone, AldrichCPR;AM20050174;C3297;FT-0634581;EN300-1981290;A819990;2 inverted exclamation mark -Chloro-5 inverted exclamation mark -fluoroacetophenone

Chemical Property of 2'-Chloro-5'-fluoroacetophenone

Chemical Property:

• Vapor Pressure: 7.4E-07mmHg at 25°C
• Refractive Index: 1.591
• Boiling Point: 201.9 °C at 760 mmHg
• Flash Point: 75.9 °C
• PSA: 17.07000
• Density: 1.258 g/cm³
• LogP: 2.68170
• Storage Temp.: Sealed in dry,Room Temperature
• 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%,99%, ^*data from raw suppliers

2''-Chloro-5''-fluoroacetophenone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi, O
• Hazard Codes: Xi,O,Xn
• Statements: 36/37/38-22
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2'-Chloro-5'-fluoroacetophenone

There total 1 articles about 2'-Chloro-5'-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:

1-Chloro-4-fluorobenzene (352-33-0) + acetyl chloride (75-36-5) → 1-(2-chloro-5-fluorophenyl)ethan-1-one (2965-16-4)

Guidance literature:

With aluminium trichloride;

DOI:10.1021/jo01062a067

Reference yield: 96.6%

1-(2-chloro-5-fluorophenyl)ethan-1-one (2965-16-4) → (RS)-1-(2-chloro-5-fluorophenyl)ethanol (700-31-2)

Guidance literature:

With sodium tetrahydroborate; In methanol; at 0 - 20 ℃; for 4h;

DOI:10.1016/j.bmcl.2020.127048

Reference yield: 68.0%

1-(2-chloro-5-fluorophenyl)ethan-1-one (2965-16-4) + ethyl acetate (141-78-6) → 1-(2-Chloro-5-fluoro-phenyl)-butane-1,3-dione

Guidance literature:

With sodium amide; In diethyl ether; 0 deg C, 1 h, r.t., overnight then reflux, 4 h;

DOI:10.1016/S0022-1139(00)81942-9

upstream raw materials:

1-Chloro-4-fluorobenzene

acetyl chloride

Downstream raw materials:

4-(2-chloro-5-fluoro-phenyl)-thiazol-2-ylamine

[4-(2-chloro-5-fluoro-phenyl)-thiazol-2-yl]-phenyl-amine

2,3-Bis-(2-chloro-5-fluoro-phenyl)-butane-2,3-diol

(RS)-1-(2-chloro-5-fluorophenyl)ethanol