Fluoroacetyl fluoride

Base Information

• Chemical Name: Fluoroacetyl fluoride
• CAS No.: 1514-42-7
• Molecular Formula: C2H2 F2 O
• Molecular Weight: 80.0341
• Hs Code.: 2915900090
• DSSTox Substance ID: DTXSID70164784
• Nikkaji Number: J55.074D
• Wikidata: Q83033860
• Mol file: 1514-42-7.mol

Synonyms:Fluoroacetyl fluoride;1514-42-7;2-fluoroacetyl fluoride;ACETYL FLUORIDE, FLUORO-;Fluorid kyseliny fluoroctove;Fluorid kyseliny fluoroctove [Czech];TL 736;BRN 1739050;LPGXUEOAYSYXNJ-UHFFFAOYSA-;DTXSID70164784;C2-H2-F2-O;MFCD01673458;TL-736;AKOS006279564

Chemical Property of Fluoroacetyl fluoride

Chemical Property:

• Vapor Pressure: 141mmHg at 25°C
• Boiling Point: 68.3°Cat760mmHg
• Flash Point: 13.3°C
• PSA: 17.07000
• Density: 1.15g/cm³
• LogP: 0.45200
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 80.00737101
• Heavy Atom Count: 5
• Complexity: 42.9

Purity/Quality:

99% ^*data from raw suppliers

FLUOROACETYL FLUORIDE 98.00% ^*data from reagent suppliers

Safty Information:

• Statements: 34-36/37/38
• Safety Statements: 23-24/25-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C(=O)F)F

Technology Process of Fluoroacetyl fluoride

There total 5 articles about Fluoroacetyl 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:

butanone (78-93-3) → 1,1-difluoroethane (75-37-6) + 1,1,2-Trifluoroethan (430-66-0) + 1,1,2,2-tetrafluoroethane (359-35-3) + fluoroacetyl fluoride (1514-42-7)

Guidance literature:

at 80 ℃; Produkt₅:Difluormethan, Produkt₆:Trifluormethan, Produkt₇:Carbonylfluorid;

DOI:10.1021/ja01167a008

Reference yield:

glycolic Acid (79-14-1) → fluoroacetyl fluoride (1514-42-7)

Guidance literature:

With sulfur tetrafluoride; at 160 ℃; for 5h;

DOI:10.1021/ja01488a012

Reference yield:

monofluoroacetyl chloride (359-06-8) → fluoroacetyl fluoride (1514-42-7)

Guidance literature:

With potassium hydrogen difluoride; nitrobenzene; at 110 ℃;

upstream raw materials:

monofluoroacetyl chloride

Fluoroacetic acid

glycolic Acid

butanone

Downstream raw materials:

N-methyl-N-methoxy-fluoroacetamide

1-(4-bromophenyl)-2-fluoroethan-1-one

Refernces

• 1、 Olah,Kuhn. "". . p. 237. Retrieved 1961.
• 2、 Durig, J. R.,Phan, H. V.,Hardin, J. A.,Berry, R. J.,Little, T. S.. "CONFORMATIONAL STABILITY, BARRIERS TO INTERNAL ROTATION, AB INITIO CALCULATIONS AND VIBRATIONAL ASSIGNMENT OF FLUOROACETYL FLUORIDE". . p. 365 - 390. Retrieved 1989.