3-(1,1,2,2-Tetrafluoroethoxy)toluene

Base Information

• Chemical Name: 3-(1,1,2,2-Tetrafluoroethoxy)toluene
• CAS No.: 1737-10-6
• Molecular Formula: C9H8F4O
• Molecular Weight: 208.156
• Hs Code.: 2909309090
• European Community (EC) Number: 217-085-7
• DSSTox Substance ID: DTXSID2061935
• Nikkaji Number: J203.141H
• Wikidata: Q72505158
• Mol file: 1737-10-6.mol

Synonyms:3-(1,1,2,2-Tetrafluoroethoxy)toluene;1737-10-6;1-methyl-3-(1,1,2,2-tetrafluoroethoxy)benzene;3-(Tetrafluoroethoxy)toluene;EINECS 217-085-7;alpha,alpha,beta,beta-Tetrafluoro-m-methylphenetole;1,1,2,2-Tetrafluoroethyl-3-Methylphenyl Ether;Benzene, 1-methyl-3-(1,1,2,2-tetrafluoroethoxy)-;SCHEMBL3278206;DTXSID2061935;MFCD00042104;AKOS003630629;FT-0613481;A811556

Chemical Property of 3-(1,1,2,2-Tetrafluoroethoxy)toluene

Chemical Property:

• Vapor Pressure: 1.53mmHg at 25°C
• Refractive Index: 1.423
• Boiling Point: 175.6 °C at 760mmHg
• Flash Point: 61.7 °C
• PSA: 9.23000
• Density: 1.235 g/cm³
• LogP: 3.23170
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 208.05112752
• Heavy Atom Count: 14
• Complexity: 184

Purity/Quality:

99% ^*data from raw suppliers

3-(1,1,2,2-Tetrafluoroethoxy)toluene 99% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T, Xi
• Hazard Codes: T,Xi
• Statements: 20/21/22-36/37/38
• Safety Statements: 23-36/37/39-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC=C1)OC(C(F)F)(F)F

Technology Process of 3-(1,1,2,2-Tetrafluoroethoxy)toluene

There total 1 articles about 3-(1,1,2,2-Tetrafluoroethoxy)toluene 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:

→ 3-(1,1,2,2-tetrafluoroethoxy)toluene (1737-10-6)

Guidance literature:

entspr. Phenol, CF2=CF2;

Reference yield:

3-(1,1,2,2-tetrafluoroethoxy)toluene (1737-10-6) → 3-(1,1,2,2-tetrafluoroethoxy)bromomethylbenzene (263266-14-4)

Guidance literature:

With N-Bromosuccinimide; 2,2'-azobis(isobutyronitrile); In tetrachloromethane; for 2h; Heating;

DOI:10.1021/jm020038h

Reference yield:

3-(1,1,2,2-tetrafluoroethoxy)toluene (1737-10-6) → (2R)-3-[[3-(phenoxy)phenyl][[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]amino]-1,1,1-trifluoro-2-propanol

Guidance literature:

Multi-step reaction with 3 steps

1: NBS; AIBN / CCl₄ / 2 h / Heating

2: cyclohexane / Heating

3: Yb(CF₃SO₃)3 / acetonitrile / 50 °C

With N-Bromosuccinimide; 2,2'-azobis(isobutyronitrile); ytterbium(III) triflate; In tetrachloromethane; cyclohexane; acetonitrile;

DOI:10.1021/jm020038h

Downstream raw materials:

3-(1,1,2,2-tetrafluoroethoxy)bromomethylbenzene

N-(3-phenoxyphenyl)[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]amine