1,1,2,2,3,4,4,5,5,6-Decafluoro-3,6-bis(trifluoromethyl)cyclohexane

Base Information

• Chemical Name: 1,1,2,2,3,4,4,5,5,6-Decafluoro-3,6-bis(trifluoromethyl)cyclohexane
• CAS No.: 374-77-6
• Molecular Formula: C8F16
• Molecular Weight: 400.062
• Hs Code.: 2903890090
• NSC Number: 4781
• DSSTox Substance ID: DTXSID90277906
• Nikkaji Number: J191.430H
• Mol file: 374-77-6.mol

Synonyms:374-77-6;1,1,2,2,3,4,4,5,5,6-decafluoro-3,6-bis(trifluoromethyl)cyclohexane;Perfluoro(1,4-dimethylcyclohexane);perfluoro-1,4-dimethyl-cyclohexane;HEXADECAFLUORO-(1,4-DIMETHYLCYCLOHEXANE);NSC4781;SCHEMBL709033;DTXSID90277906;perfluoro-1,4-dimethylcyclohexane;NSC-4781;MFCD00045478;FT-0626962;A823687;1,4-Di(trifluoromethyl)-1,2,2,3,3,4,5,5,6,6-decafluorocyclohexane;Cyclohexane,1,2,2,3,4,4,5,5,6-decafluoro-3,6-bis(trifluoromethyl)-

Chemical Property of 1,1,2,2,3,4,4,5,5,6-Decafluoro-3,6-bis(trifluoromethyl)cyclohexane

Chemical Property:

• Vapor Pressure: 42.2mmHg at 25°C
• Refractive Index: 1.2897
• Boiling Point: 100.5°Cat760mmHg
• Flash Point: 11.8°C
• PSA: 0.00000
• Density: 1.75g/cm³
• LogP: 5.08240
• XLogP3: 5.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 16
• Rotatable Bond Count: 0
• Exact Mass: 399.9744506
• Heavy Atom Count: 24
• Complexity: 443

Purity/Quality:

99%, ^*data from raw suppliers

PERFLUORO(1,4-DIMETHYLCYCLOHEXANE) 95.00% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Safety Statements: S23:Do not inhale gas/fumes/vapour/spray.

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1(C(C(C(C(C1(F)F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(C(F)(F)F)F

Technology Process of 1,1,2,2,3,4,4,5,5,6-Decafluoro-3,6-bis(trifluoromethyl)cyclohexane

There total 8 articles about 1,1,2,2,3,4,4,5,5,6-Decafluoro-3,6-bis(trifluoromethyl)cyclohexane 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: 45.5%

4-methyl-benzoyl chloride (874-60-2) → tetradecafluorohexane (355-42-0) + perfluoro(methylcyclohexane) (355-02-2) + perfluoro-1,4-dimethylcyclohexane (374-77-6) + C8F14O (37678-17-4) + C8F16O (1265131-67-6) + 1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexanecarbonyl fluoride (6588-63-2) + 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoyl fluoride (375-84-8)

Guidance literature:

With dimethylsulfide; hydrogen fluoride; nickel; Electrolysis;

DOI:10.1016/j.jfluchem.2009.04.010

Reference yield:

1,4-bis(trifluoromethyl)benzene (433-19-2) → perfluoro-1,4-dimethylcyclohexane (374-77-6)

Guidance literature:

With nitrogen; copper; fluorine; at 190 ℃;

DOI:10.1021/ja01162a017

Reference yield:

para-xylene (106-42-3) → perfluoro-1,4-dimethylcyclohexane (374-77-6)

Guidance literature:

With cobalt (III) fluoride; nitrogen; at 200 - 300 ℃;

DOI:10.1021/ie50447a618 DOI:10.1053/ajkd.2001.26839

upstream raw materials:

para-xylene

1,4-bis(trifluoromethyl)benzene

4-methyl-benzoyl chloride

Downstream raw materials:

1,2,4,5-tetrafluoro-3,6-bis-trifluoromethyl-benzene

Refernces

• 1、 Bailey, John,Plevey, Raymond G.,Tatlow, John Colin. "FLUORINATIONS WITH COMPLEX METAL FLUORIDES. PART 9. FLUORINATIONS OF TOLUENE AND XYLENE DERIVATIVES BY MEANS OF CAESIUM TETRAFLUOROCOBALTATE(III)". . p. 1 - 14. Retrieved 2007/10/02.