(Pentafluorophenoxy)acetyl chloride

Base Information

• Chemical Name: (Pentafluorophenoxy)acetyl chloride
• CAS No.: 55502-53-9
• Molecular Formula: C8H2 Cl F5 O2
• Molecular Weight: 260.548
• Hs Code.: 2918990090
• European Community (EC) Number: 259-676-2
• NSC Number: 97008
• UNII: 8SEH5G2HML
• DSSTox Substance ID: DTXSID80204084
• Nikkaji Number: J267.011I
• Wikidata: Q83077539
• Mol file: 55502-53-9.mol

Synonyms:55502-53-9;(Pentafluorophenoxy)acetyl chloride;2-(Perfluorophenoxy)acetyl chloride;2,3,4,5,6-PENTAFLUOROPHENOXYACETYL CHLORIDE;2-(2,3,4,5,6-pentafluorophenoxy)acetyl chloride;8SEH5G2HML;EINECS 259-676-2;NSC-97008;UNII-8SEH5G2HML;SCHEMBL3026303;DTXSID80204084;2-(Perfluorophenoxy)acetylchloride;NSC97008;BBL015055;MFCD01320685;NSC 97008;AKOS005174961;FT-0605004;2,3,4,5,6-pentafluorophenoxyacetyl chloride, AldrichCPR;ACETYL CHLORIDE, 2-(2,3,4,5,6-PENTAFLUOROPHENOXY)-

Chemical Property of (Pentafluorophenoxy)acetyl chloride

Chemical Property:

• Appearance/Colour: CLEAR PALE YELLOW LIQUID
• Vapor Pressure: 0.101mmHg at 25°C
• Refractive Index: 1.451-1.453
• Boiling Point: 116-117°C 20mm
• Flash Point: 116-117°C/20mm
• PSA: 26.30000
• Density: 1.633g/cm³
• LogP: 2.52630
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 259.9663478
• Heavy Atom Count: 16
• Complexity: 251

Purity/Quality:

97% ^*data from raw suppliers

(Pentafluorophenoxy)acetyl chloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34-14
• Safety Statements: 36/37/39-3/7-27-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C(=O)Cl)OC1=C(C(=C(C(=C1F)F)F)F)F

Technology Process of (Pentafluorophenoxy)acetyl chloride

There total 1 articles about (Pentafluorophenoxy)acetyl chloride 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%

(2,3,4,5,6-pentafluorophenoxy)-acetic acid (14892-14-9) → hexafluorophenoxyethanoyl chloride (55502-53-9)

Guidance literature:

With thionyl chloride; for 1h; Heating / reflux;

Reference yield:

hexafluorophenoxyethanoyl chloride (55502-53-9) + Trifluoromethanesulfonamide (421-85-2) → C6F5OCH2C(O)NHSO2CF3

Guidance literature:

With sodium carbonate; In acetone; stirring at 20°C, 90 h, then react. for 3 h, then stirring 48 h;

Reference yield:

hexafluorophenoxyethanoyl chloride (55502-53-9) + carbonylchlorobis(triethylphosphine)rhodium(I) (14871-47-7,15631-52-4) → [RhCl2(COCH2OC6F5)(CO)(triethylphosphine)2]

Guidance literature:

In dichloromethane-d2; inert atmosphere; addn. of 1 equiv. of C6F5OCH2COCL to Rh-complex soln. at -70°C; slow warming to 100°C; not isolated, detd. by (31)P-NMR spectroscopy;

upstream raw materials:

(2,3,4,5,6-pentafluorophenoxy)-acetic acid

Downstream raw materials:

N-(4-(3-bromoanilino)quinazolin-6-yl)-2-(perfluorophenoxy)-acetamide

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