9-Chlorohexadecafluorononanoic Acid

Base Information

• Chemical Name: 9-Chlorohexadecafluorononanoic Acid
• CAS No.: 865-79-2
• Molecular Formula: C₉HClF₁₆O₂
• Molecular Weight: 480.533
• Hs Code.: 2915900090
• European Community (EC) Number: 678-367-7
• DSSTox Substance ID: DTXSID30382104
• Nikkaji Number: J3.151.854G
• Wikidata: Q81977562
• Mol file: 865-79-2.mol

Synonyms:9-Chlorohexadecafluorononanoic Acid;865-79-2;9-Chloroperfluorononanoic acid;9-Chloro-perfluorononanoic acid;9-CHLOROHEXADECAFLUORONONANOICACID;9-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanoic acid;ClPFLCAs_i n=8;9Cl-PFNA;SCHEMBL648555;9-chloro-prefluorononanoic acid;DTXSID30382104;QDGYPYFSHOUVLE-UHFFFAOYSA-N;MFCD00155671;9-Chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-nonanoic acid;AKOS007930135;AS-77482;C2355;FT-0633035;T71414;A841724

Chemical Property of 9-Chlorohexadecafluorononanoic Acid

Chemical Property:

• Vapor Pressure: 0.0138mmHg at 25°C
• Melting Point: 80-81,5°C
• Boiling Point: 130°C 30mm
• PKA: 0.52±0.10(Predicted)
• Flash Point: 98.4°C
• PSA: 37.30000
• Density: 1.775g/cm³
• LogP: 5.34970
• XLogP3: 5.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 18
• Rotatable Bond Count: 8
• Exact Mass: 479.9409576
• Heavy Atom Count: 28
• Complexity: 626

Purity/Quality:

98%,99%, ^*data from raw suppliers

9-Chlorohexadecafluorononanoic Acid min. 95.0 % ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

Useful:

• Chemical Classes: PFAS
• Canonical SMILES: C(=O)(C(C(C(C(C(C(C(C(F)(F)Cl)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O

Technology Process of 9-Chlorohexadecafluorononanoic Acid

There total 8 articles about 9-Chlorohexadecafluorononanoic Acid 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:

ω-chloroperfluoropelargonyl chloride (2925-59-9) → 9-Chlor-perfluornonansaeure (865-79-2)

Guidance literature:

With water; In tetrachloromethane;

DOI:10.1021/jo01070a074

Reference yield:

9H-hexadecafluorononanoic acid (76-21-1) → 9-Chlor-perfluornonansaeure (865-79-2)

Guidance literature:

With chlorine; Irradiation;

Reference yield:

Fluorosulfuric acid 9-chloro-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-octadecafluoro-nonyl ester → 9-Chlor-perfluornonansaeure (865-79-2)

Guidance literature:

Multi-step reaction with 2 steps

1: KF / bis-(2-methoxy-ethyl) ether

2: H₂O

With potassium fluoride; water; In diethylene glycol dimethyl ether;

upstream raw materials:

9H-hexadecafluorononanoic acid

ω-chloroperfluoropelargonyl chloride

ω-Chlor-perfluor-nonansaeure-(α,α,ω-trichlor-perfluor-nonylester)

9-chloro-9H-hexadecafluoro-nonanoyl fluoride

Refernces

• 1、 Rapkin, A. I.,Zabolot-skikh, V. F.,Kochanov, A. S.,Tiunov, A. V.,Zhirnov, O. M.. "Use of Perfluoroalkylfluorosulfonates for Synthesizing Organofluorine Compounds". . p. 133 - 134. Retrieved 2007/10/03.