1-Chloroheptadecafluorooctane

Base Information

• Chemical Name: 1-Chloroheptadecafluorooctane
• CAS No.: 307-33-5
• Molecular Formula: C8Cl F17
• Molecular Weight: 454.514
• Hs Code.: 2903799090
• European Community (EC) Number: 206-198-7
• DSSTox Substance ID: DTXSID10184724
• Nikkaji Number: J193.719G
• Wikidata: Q83055656
• Mol file: 307-33-5.mol

Synonyms:1-Chloroheptadecafluorooctane;307-33-5;EINECS 206-198-7;1-chloro-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane;Octane, 1-chloro-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-;1-Chloroperfluorooctane;C8ClF17;1-Chloroperfluorooctane 97%;SCHEMBL248576;C8-Cl-F17;DTXSID10184724;MFCD10567146;FT-0774647

Chemical Property of 1-Chloroheptadecafluorooctane

Chemical Property:

• Vapor Pressure: 11.2mmHg at 25°C
• Boiling Point: 131.7°Cat760mmHg
• Flash Point: 61.9°C
• PSA: 0.00000
• Density: 1.715g/cm³
• LogP: 6.19210
• XLogP3: 6.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 17
• Rotatable Bond Count: 6
• Exact Mass: 453.9417064
• Heavy Atom Count: 26
• Complexity: 527

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-Chloroheptadecafluorooctane

There total 8 articles about 1-Chloroheptadecafluorooctane 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: 83.0%

perfluorononanoic acid (375-95-1) → 1-Chloroperfluorooctane (307-33-5)

Guidance literature:

With potassium hydroxide; chlorine; In water; acetonitrile; electrolysis, Pt-anode, glass-carbon cathode, 2.6 V, 50 mA/cm²;

DOI:10.1007/BF00961499

Reference yield: 30.8%

hydroperfluorooctane (335-65-9) → 1-Chloroperfluorooctane (307-33-5)

Guidance literature:

With tetrachloromethane; at 350 ℃; for 24h;

DOI:10.1016/0022-1139(94)03137-O

Reference yield:

methanol (67-56-1) + 1-iodoheptadecafluorooctane (507-63-1) → 1-Chloroperfluorooctane (307-33-5) + methyl perfluorooctanoate (376-27-2)

Guidance literature:

With chlorosulfonic acid; Yield given. Multistep reaction. Yields of byproduct given; 1.) 145 - 150 deg C, 20 h, 2.) reflux, 4 h;

DOI:10.1016/S0022-1139(00)82355-6

upstream raw materials:

hydroperfluorooctane

methanol

1-iodoheptadecafluorooctane

perfluorononanoic acid

Downstream raw materials:

Perfluorooctane

1-Heptadecafluorooctyl-2-methoxy-benzene

Sodium n-perfluorooctanesulfinate

N,N-dimethyl-4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)benzeneamine

Refernces

• 1、 Grinberg, V. A.,Cherstkov, V. F.,Sterlin, S. R.,Vasil'ev, Yu. B.,German, L. S.. "ELECTROCHEMICAL SYNTHESIS OF PERFLUOROALKYLCHLORIDES". . p. 1670 - 1673. Retrieved 1990.
• 2、 Zakharov, V. Yu.,Denisov, A. K.,Novikova, M. D.. "DIRECT GAS-PHASE CATALYTIC FLUORINATION OF PARTIALLY FLUORINATED ORGANIC COMPOUNDS". . p. 1942 - 1945. Retrieved 2007/10/03.