3,3,4,4,5,5,6,6,6-Nonafluorohexanoyl chloride

Base Information

• Chemical Name: 3,3,4,4,5,5,6,6,6-Nonafluorohexanoyl chloride
• CAS No.: 64018-24-2
• Molecular Formula: C6H2 Cl F9 O
• Molecular Weight: 296.52
• Hs Code.: 2915900090
• European Community (EC) Number: 264-605-3
• DSSTox Substance ID: DTXSID40880540
• Nikkaji Number: J310.029D
• Wikidata: Q83128872
• Mol file: 64018-24-2.mol

Synonyms:3,3,4,4,5,5,6,6,6-Nonafluorohexanoyl chloride;64018-24-2;EINECS 264-605-3;C6H2ClF9O;C6-H2-Cl-F9-O;SCHEMBL1727615;DTXSID40880540;3,3,4,4,5,5,6,6,6-Nonafluorohexanoic acid chloride

Chemical Property of 3,3,4,4,5,5,6,6,6-Nonafluorohexanoyl chloride

Chemical Property:

• Vapor Pressure: 19.7mmHg at 25°C
• Boiling Point: 114.7°C at 760 mmHg
• Flash Point: 23.2°C
• PSA: 17.07000
• Density: 1.6g/cm³
• LogP: 3.61010
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 4
• Exact Mass: 295.9650458
• Heavy Atom Count: 17
• Complexity: 307

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3,3,4,4,5,5,6,6,6-Nonafluorohexanoyl chloride

There total 2 articles about 3,3,4,4,5,5,6,6,6-Nonafluorohexanoyl 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: 80.0%

3,3,4,4,5,5,6,6,6-nonafluorohexanoic acid (70887-89-7) → 3,3,4,4,5,5,6,6,6-nonafluorohexanoyl chloride (64018-24-2)

Guidance literature:

With phosphorus pentachloride; In diethyl ether; for 2h; Heating;

DOI:10.1016/0022-1139(94)03084-D

Reference yield:

1H,1H,2H,2H-nonafluoro-1-hexanol (2043-47-2) → 3,3,4,4,5,5,6,6,6-nonafluorohexanoyl chloride (64018-24-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 98 percent / CrO₃, H₂SO₄ / acetone; diethyl ether / 0.08 h

2: 80 percent / PCl₅ / diethyl ether / 2 h / Heating

With chromium(VI) oxide; phosphorus pentachloride; sulfuric acid; In diethyl ether; acetone;

DOI:10.1016/0022-1139(94)03084-D

upstream raw materials:

3,3,4,4,5,5,6,6,6-nonafluorohexanoic acid

1H,1H,2H,2H-nonafluoro-1-hexanol