2-(Trifluoromethyl)benzamide

Base Information

• Chemical Name: 2-(Trifluoromethyl)benzamide
• CAS No.: 360-64-5
• Molecular Formula: C8H6F3NO
• Molecular Weight: 189.137
• Hs Code.: 2924299090
• European Community (EC) Number: 206-637-2
• UNII: 5U8Y7E6AIO
• DSSTox Substance ID: DTXSID40189560
• Nikkaji Number: J193.863K
• Wikidata: Q27262883
• ChEMBL ID: CHEMBL4558027
• Mol file: 360-64-5.mol

Synonyms:2-(Trifluoromethyl)benzamide;360-64-5;2-Trifluoromethylbenzamide;Benzamide, 2-(trifluoromethyl)-;o-(Trifluoromethyl)benzamide;2-(Trifluoromehtyl)benzamide;o-trifluoromethyl-benzamide;UNII-5U8Y7E6AIO;5U8Y7E6AIO;EINECS 206-637-2;MFCD00014798;EC 206-637-2;o-Trifluoromethylbenzamide;Fluopyram-benzamide;2-trifiuoromethylbenzamide;2-Trifluoromethyl-benzamide;2-(trifluoromethyl) benzamide;SCHEMBL118007;CHEMBL4558027;DTXSID40189560;2-(Trifluoromethyl)benzamide, 97%;STL382175;AKOS008977333;CS-W015962;PS-8415;A6263;FT-0608953;T3384;D83547;Q27262883;Z68590139

Chemical Property of 2-(Trifluoromethyl)benzamide

Chemical Property:

• Vapor Pressure: 7.5E-06mmHg at 25°C
• Melting Point: 160-164 °C(lit.)
• Boiling Point: 247.3 °C at 760 mmHg
• PKA: 15.46±0.50(Predicted)
• Flash Point: 103.4 °C
• PSA: 43.09000
• Density: 1.335 g/cm³
• LogP: 2.50460
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility.: 13g/L
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 189.04014830
• Heavy Atom Count: 13
• Complexity: 202

Purity/Quality:

99.9% ^*data from raw suppliers

2-(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

Total 1 MSDS from other Authors

Useful:

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

Technology Process of 2-(Trifluoromethyl)benzamide

There total 17 articles about 2-(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: 99.0%

2-(trifluoromethyl)benzonitrile (447-60-9) → 2-(trifluoromethyl)benzamide (360-64-5)

Guidance literature:

With dihydrogen peroxide; sodium hydroxide; In water; at 40 - 50 ℃; for 4.5h; pH=11 - 12;

Reference yield: 95.2%

2-chloro-6-trifluoromethylbenzamide (916420-45-6) → 2-(trifluoromethyl)benzamide (360-64-5)

Guidance literature:

With 5%-palladium/activated carbon; hydrogen; triethylamine; In tetrahydrofuran; at 25 ℃; for 16h; under 1140.08 Torr; Reagent/catalyst;

Reference yield: 90.0%

2-trifluoromethylbenzoyl chloride (312-94-7) → 2-(trifluoromethyl)benzamide (360-64-5)

Guidance literature:

With ammonia; In isopropyl alcohol; at -10 - 0 ℃; for 3.5h; Temperature; Reagent/catalyst; Solvent;

upstream raw materials:

2-(trifluoromethyl)benzonitrile

2-trifluoromethyl-benzoic acid methyl ester

2-trifluoromethylbenzoyl chloride

flutolanil

Downstream raw materials:

N-(1,3-benzoxazol-2-yl)-2-(trifluoromethyl)benzamide

N-(1-methyl-1H-benzo[d]imidazol-2-yl)-2-(trifluoromethyl)benzamide

2-(trifluoromethyl)-N-(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)benzamide

ethyl 5-({[2-(trifluoromethyl)phenyl]carbonyl}amino)-2,3-dihydro-1-benzofuran-7-carboxylate