3,5-Bis(trifluoromethyl)fluorobenzene

Base Information

• Chemical Name: 3,5-Bis(trifluoromethyl)fluorobenzene
• CAS No.: 35564-19-3
• Molecular Formula: C8H3F7
• Molecular Weight: 232.101
• Hs Code.: 2903999090
• NSC Number: 88298
• DSSTox Substance ID: DTXSID30293286
• Nikkaji Number: J2.154.186I
• Wikidata: Q82031966
• ChEMBL ID: CHEMBL4638034
• Mol file: 35564-19-3.mol

Synonyms:3,5-Bis(trifluoromethyl)fluorobenzene;35564-19-3;1-fluoro-3,5-bis(trifluoromethyl)benzene;3,5-Bis-(trifluoromethyl)fluorobenzene;1,3-bis(trifluoromethyl)-5-fluorobenzene;MFCD00017997;NSC88298;SCHEMBL4461544;CHEMBL4638034;DTXSID30293286;ZBVDOILFQLAMEJ-UHFFFAOYSA-N;BBL101009;NSC-88298;STL554803;AKOS005255903;AC-2302;AM61921;AS-30435;CS-0210260;FT-0653803;Benzene, 1-fluoro-3,5-bis(trifluoromethyl)-;A20444;m-Xylene, alpha,alpha,alpha,alpha',alpha',alpha',5-heptafluoro-

Chemical Property of 3,5-Bis(trifluoromethyl)fluorobenzene

Chemical Property:

• Vapor Pressure: 43.4mmHg at 25°C
• Refractive Index: 1.368
• Boiling Point: 99.8 °C at 760 mmHg
• Flash Point: 17.8 °C
• PSA: 0.00000
• Density: 1.444 g/cm³
• LogP: 3.86330
• Storage Temp.: 2-8°C
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 0
• Exact Mass: 232.01229723
• Heavy Atom Count: 15
• Complexity: 194

Purity/Quality:

97% ^*data from raw suppliers

3,5-Bis(trifluoromethyl)fluorobenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C=C1C(F)(F)F)F)C(F)(F)F

Technology Process of 3,5-Bis(trifluoromethyl)fluorobenzene

There total 6 articles about 3,5-Bis(trifluoromethyl)fluorobenzene 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: 75.0%

3,6-bis(trifluoromethyl)bromobenzene (328-70-1) → 1-fluoro-3,5-bis-(trifluoromethyl)benzene (35564-19-3)

Guidance literature:

With tetrabutyl ammonium fluoride; In acetonitrile; at 20 ℃; for 8h;

DOI:10.1021/ja0440497

Reference yield:

1-nitro-3,5-bis(trifluoromethyl)benzene (328-75-6) → 1-fluoro-3,5-bis-(trifluoromethyl)benzene (35564-19-3)

Guidance literature:

With tetrabutyl ammonium fluoride; In acetonitrile; at 20 ℃; for 0.0333333h;

DOI:10.1021/ja0440497

Reference yield:

3,5-Bis-(trifluoromethyl)aniline (328-74-5) → 1-fluoro-3,5-bis-(trifluoromethyl)benzene (35564-19-3)

Guidance literature:

With hydrogenchloride; sodium tetrafluoroborate; sodium nitrite; Yield given. Multistep reaction; 1.) 0 deg C, 15 min, 2.) 200 deg C;

DOI:10.1021/ja00089a028

upstream raw materials:

3,5-Bis-(trifluoromethyl)aniline

1,3-bis-trichloromethyl-benzene

1-nitro-3,5-bis(trifluoromethyl)benzene

3,6-bis(trifluoromethyl)bromobenzene

Downstream raw materials:

2,2',2''-tris<(3,5-bis(trifluoromethyl)phenyl)amino>triethylamine

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