3-Fluoro-5-(trifluoromethyl)benzamide

Base Information

• Chemical Name: 3-Fluoro-5-(trifluoromethyl)benzamide
• CAS No.: 207986-20-7
• Molecular Formula: C₈H₅F₄NO
• Molecular Weight: 207.127
• Hs Code.: 2924299090
• European Community (EC) Number: 671-130-9
• DSSTox Substance ID: DTXSID50372128
• Wikidata: Q82159722
• Mol file: 207986-20-7.mol

Synonyms:3-Fluoro-5-(trifluoromethyl)benzamide;207986-20-7;Benzamide, 3-fluoro-5-(trifluoromethyl)-;SCHEMBL628456;DTXSID50372128;MVZFPJAHJLFZGI-UHFFFAOYSA-N;3-fluoro-5-trifluoromethyl-benzamide;MFCD00061149;AKOS015853133;PS-8065;SB77919;CS-0159911;FT-0615701;E79056;A814920

Chemical Property of 3-Fluoro-5-(trifluoromethyl)benzamide

Chemical Property:

• Vapor Pressure: 0.372mmHg at 25°C
• Melting Point: 115-117 °C
• Refractive Index: 1.462
• Boiling Point: 197.8 °C at 760 mmHg
• PKA: 14.77±0.50(Predicted)
• Flash Point: 73.4 °C
• PSA: 43.09000
• Density: 1.42 g/cm³
• LogP: 2.64370
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 207.03072643
• Heavy Atom Count: 14
• Complexity: 228

Purity/Quality:

97%+ ^*data from raw suppliers

3-Fluoro-5-(trifluoromethyl)benzamide ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-Fluoro-5-(trifluoromethyl)benzamide

There total 1 articles about 3-Fluoro-5-(trifluoromethyl)benzamide 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-fluoro-5-trifluoromethyl-benzonitrile (149793-69-1) → 3-fluoro-5-(trifluoromethyl)benzamide (207986-20-7)

Guidance literature:

With dihydrogen peroxide; potassium carbonate; In water; dimethyl sulfoxide; at 25 - 35 ℃; for 1.5h; Reagent/catalyst; Temperature; Time;

Reference yield: 25.6%

3-fluoro-5-(trifluoromethyl)benzamide (207986-20-7) + 7-bromo-4-chloro-2-[(2,4-dimethoxyphenyl)methyl]-1-(2-methylphenyl)-1H,2H,3H-pyrrolo[3,4-c]pyridin-3-one → N-{4-chloro-2-[(2,4-dimethoxyphenyl)methyl]-1-(2-methylphenyl)-3-oxo-1H,2H,3H-pyrrolo[3,4-c]pyridin-7-yl}-3-fluoro-5-(trifluoromethyl)benzamide

Guidance literature:

With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; sodium methylate; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; at 100 ℃; for 16h; Inert atmosphere;

upstream raw materials:

3-fluoro-5-trifluoromethyl-benzonitrile

Refernces