2-Chloro-5-fluorobenzotrifluoride

Base Information

• Chemical Name: 2-Chloro-5-fluorobenzotrifluoride
• CAS No.: 89634-75-3
• Molecular Formula: C7H3ClF4
• Molecular Weight: 198.547
• Hs Code.: 2903999090
• DSSTox Substance ID: DTXSID80544917
• Wikidata: Q72451582
• Mol file: 89634-75-3.mol

Synonyms:2-Chloro-5-fluorobenzotrifluoride;89634-75-3;1-chloro-4-fluoro-2-(trifluoromethyl)benzene;MFCD07782058;Benzene, 1-chloro-4-fluoro-2-(trifluoromethyl)-;SCHEMBL3920564;DTXSID80544917;5-Fluoro-2-chlorobenzotrifluoride;AKOS005258031;GS-3972;2-Chloro-5-Fluorotrifluoromethyl Benzene;SY016007;CS-0090881;2-Chloro-5-fluorobenzotrifluoride, AldrichCPR;1-Chloro-4-fluoro-2-(trifluoromethyl)-benzene;A843258;J-508824

Chemical Property of 2-Chloro-5-fluorobenzotrifluoride

Chemical Property:

• Boiling Point: 152.1±35.0℃ (760 Torr)
• Flash Point: 50.8±19.4℃
• PSA: 0.00000
• Density: 1.427±0.06 g/cm3 (20 oC 760 Torr)
• LogP: 3.49790
• Storage Temp.: 2-8°C
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 197.9859404
• Heavy Atom Count: 12
• Complexity: 156

Purity/Quality:

98% ^*data from raw suppliers

2-Chloro-5-fluorobenzotrifluoride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1F)C(F)(F)F)Cl

Technology Process of 2-Chloro-5-fluorobenzotrifluoride

There total 5 articles about 2-Chloro-5-fluorobenzotrifluoride 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: 77.0%

3-methyl 5-(1-methylethyl) 4-(3-chloro-6-fluoro-2-(trifluoromethyl)phenyl)-2-(fluoromethyl)-1,4-dihydro-6-methyl-3,5-pyridinedicarboxylate (95445-79-7) → 1-chloro-4-fluoro-2-(trifluoromethyl)benzene (89634-75-3) + 3-methyl 5-(1-methylethyl) 2-(fluoromethyl)-6-methylpyridine-3,5-dicarboxylate (117751-90-3)

Guidance literature:

With sodium cyanide; In N,N-dimethyl-formamide; at 60 ℃; for 0.333333h;

DOI:10.1039/P19880001837

Reference yield: 61.0%

2-(2-bromoethyl)isoindoline-1,3-dione (574-98-1) + 3-methyl 5-(1-methylethyl) 4-(3-chloro-6-fluoro-2-(trifluoromethyl)phenyl)-2-(fluoromethyl)-1,4-dihydro-6-methyl-3,5-pyridinedicarboxylate (95445-79-7) → N-vinylphthalimide (3485-84-5,26809-43-8) + 1-chloro-4-fluoro-2-(trifluoromethyl)benzene (89634-75-3) + 3-methyl 5-(1-methylethyl) 2-(fluoromethyl)-6-methylpyridine-3,5-dicarboxylate (117751-90-3) + 3-methyl 5-(1-methylethyl) 2-isoindol-9b-yl)methyl>-6-methylpyridine-3,5-dicarboxylate (117752-00-8,117752-02-0)

Guidance literature:

With sodium hydride; Yield given. Multistep reaction. Further byproducts given; 1.) DMF, 0 deg C, 2.) DMF, 20 deg C, 3 h;

DOI:10.1039/P19880001837

Reference yield: 61.0%

2-(2-bromoethyl)isoindoline-1,3-dione (574-98-1) + 3-methyl 5-(1-methylethyl) 4-(3-chloro-6-fluoro-2-(trifluoromethyl)phenyl)-2-(fluoromethyl)-1,4-dihydro-6-methyl-3,5-pyridinedicarboxylate (95445-79-7) → N-vinylphthalimide (3485-84-5,26809-43-8) + 1-chloro-4-fluoro-2-(trifluoromethyl)benzene (89634-75-3) + 3-methyl 5-(1-methylethyl) 2-(fluoromethyl)-6-methylpyridine-3,5-dicarboxylate (117751-90-3) + 3-methyl 5-(1-methylethyl) 2-(fluoromethyl)-6-<(2,3,5,9b-tetrahydro-5-oxo-oxazolo<2,3-a>isoindol-9b-yl)methyl>-pyridine-3,5-dicarboxylate (117752-01-9)

Guidance literature:

With sodium hydride; Yield given. Multistep reaction. Further byproducts given; 1.) DMF, 0 deg C, 2.) DMF, 20 deg C, 3 h;

DOI:10.1039/P19880001837

upstream raw materials:

2-(2-bromoethyl)isoindoline-1,3-dione

3-methyl 5-(1-methylethyl) 4-(3-chloro-6-fluoro-2-(trifluoromethyl)phenyl)-2-(fluoromethyl)-1,4-dihydro-6-methyl-3,5-pyridinedicarboxylate

4-(3-Chloro-6-fluoro-2-trifluoromethyl-phenyl)-2-methyl-5-oxo-1,4,5,7-tetrahydro-furo[3,4-b]pyridine-3-carboxylic acid isopropyl ester

4-chloro-3-trifluoromethyl-aniline

Downstream raw materials:

4-chloro-3-trifluoromethylphenol

1-(4-fluoro-2-(trifluoromethyl)phenyl)ethan-1-one

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