2-chloroacetyl Fluoride

Base Information

• Chemical Name: 2-chloroacetyl Fluoride
• CAS No.: 359-14-8
• Molecular Formula: C2H2 Cl F O
• Molecular Weight: 96.4887
• Hs Code.: 2915900090
• DSSTox Substance ID: DTXSID10416017
• Nikkaji Number: J385.038B
• Wikidata: Q82225136
• Mol file: 359-14-8.mol

Synonyms:2-chloroacetyl Fluoride;chloroacetyl fluoride;359-14-8;2-chloro-acetyl fluoride;Chloroacetic acid fluoride;DTXSID10416017;GKUAOYZMFRWOOC-UHFFFAOYSA-N;MFCD01861133;AKOS006378959;FT-0693145;InChI=1/C2H2ClFO/c3-1-2(4)5/h1H;A823042

Chemical Property of 2-chloroacetyl Fluoride

Chemical Property:

• Boiling Point: 109.2°Cat760mmHg
• Flash Point: 19.8°C
• PSA: 17.07000
• Density: 1.277g/cm³
• LogP: 0.72130
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 95.9778205
• Heavy Atom Count: 5
• Complexity: 44.9

Purity/Quality:

98%Min ^*data from raw suppliers

CHLOROACETYL FLUORIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C
• Statements: 34
• Safety Statements: 23-26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C(=O)F)Cl

Technology Process of 2-chloroacetyl Fluoride

There total 7 articles about 2-chloroacetyl Fluoride 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:

3-(Chloromethyl)-3-fluoro-1,2,4-trioxolane → formaldehyd (50-00-0,30525-89-4,61233-19-0) + 2-chloroacetyl fluoride (359-14-8)

Guidance literature:

With dimethylsulfide; In chloroform-d1; Title compound not separated from byproducts;

DOI:10.1021/jo00129a055

Reference yield:

2,2,3,3,4,4,4-Heptafluoro-butyric acid 2-chloro-1,1-difluoro-ethyl ester (72844-36-1) → 2-chloroacetyl fluoride (359-14-8) + perfluorobutyryl fluoride (335-42-2)

Guidance literature:

With potassium fluoride; Yield given. Yields of byproduct given;

DOI:10.1021/jo01295a009

Reference yield:

cis/trans-3,5-Bis(dichloromethyl)-3-fluoro-5-methyl-1,2,4-trioxolane → 2-chloroacetyl fluoride (359-14-8) + chloroacetone (78-95-5)

Guidance literature:

With triphenylphosphine; In chloroform-d1; Title compound not separated from byproducts;

DOI:10.1021/jo00129a055

upstream raw materials:

Difluoro-acetic acid 2-chloro-1,1-difluoro-ethyl ester

Chloro-difluoro-acetic acid 2-chloro-1,1-difluoro-ethyl ester

2,2,3,3,4,4,4-Heptafluoro-butyric acid 2-chloro-1,1-difluoro-ethyl ester

Downstream raw materials:

1-Chloro-3-fluoro-prop-2-one

Refernces

• 1、 Tari, Isao,DesMarteau, Darryl D.. "Synthesis of Halogenated Esters of Fluorinated Carboxylic Acids by the Regio- and Stereospecific Addition of Acyl Hypochlorites to Olefins". . p. 1214 - 1217. Retrieved 2007/10/02.