5-(Trifluoromethyl)-1H-benzo[D]imidazole-2-carboxylic acid

Base Information

• Chemical Name: 5-(Trifluoromethyl)-1H-benzo[D]imidazole-2-carboxylic acid
• CAS No.: 2107-39-3
• Molecular Formula: C9H5 F3 N2 O2
• Molecular Weight: 230.146
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID90469925
• Nikkaji Number: J2.272.291C
• Wikidata: Q72511687
• Mol file: 2107-39-3.mol

Synonyms:2107-39-3;5-(TRIFLUOROMETHYL)-1H-BENZO[D]IMIDAZOLE-2-CARBOXYLIC ACID;5-Trifluoromethyl-1H-benzoimidazole-2-carboxylic acid;6-(trifluoromethyl)-1H-benzimidazole-2-carboxylic acid;5-(trifluoromethyl)-1H-1,3-benzodiazole-2-carboxylic acid;MFCD11052827;5-TRIFLUOROMETHYL-1H-BENZOIMIDAZOLE-2-CARBOXYLICACID;5-(Trifluoromethyl)-1H-benzimidazole-2-carboxylic acid;1H-Benzimidazole-2-carboxylic acid, 6-(trifluoromethyl)-;SCHEMBL2361454;1H-Benzimidazole-2-carboxylicacid,6-(trifluoromethyl)-;1H-Benzimidazole-2-carboxylic acid, 5-(trifluoromethyl)-;DTXSID90469925;AKOS015902175;AM84988;PS-6306;SY269240;FT-0685935;5-(Trifluoromethyl)benzimidazole-2-carboxylic Acid;A815116;5-(trifluoromethyl)-benzimidazole-2-carboxylic acid;W-206593

Chemical Property of 5-(Trifluoromethyl)-1H-benzo[D]imidazole-2-carboxylic acid

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.604
• Boiling Point: 420.639°C at 760 mmHg
• PKA: 1.23±0.30(Predicted)
• Flash Point: 208.195°C
• PSA: 65.98000
• Density: 1.630±0.06 g/cm3 (20 ºC 760 Torr)
• LogP: 2.27990
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 230.03031189
• Heavy Atom Count: 16
• Complexity: 295

Purity/Quality:

98%min ^*data from raw suppliers

5-(Trifluoromethyl)-1h-benzo[D]imidazole-2-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C1C(F)(F)F)NC(=N2)C(=O)O

Technology Process of 5-(Trifluoromethyl)-1H-benzo[D]imidazole-2-carboxylic acid

There total 5 articles about 5-(Trifluoromethyl)-1H-benzo[D]imidazole-2-carboxylic acid 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: 86.0%

→ 5-(trifluoromethyl)-benzimidazole-2-carboxylic acid (2107-39-3)

Guidance literature:

Reference yield:

2-trichloromethyl-6-trifluoromethyl-1H-benzoimidazole (673487-33-7) → 6-trifluoromethyl-1H-benzoimidazole-2-carboxylic acid (2107-39-3)

Guidance literature:

2-trichloromethyl-6-trifluoromethyl-1H-benzoimidazole; With methanol; sodium hydroxide; water; at 20 ℃; for 16h;

With water; acetic acid; In methanol; pH=6;

Reference yield:

2-trichloromethyl-5-trifluoromethyl-1H-benzoimidazole (673487-33-7) → 5-(trifluoromethyl)-benzimidazole-2-carboxylic acid (2107-39-3)

Guidance literature:

With water; sodium hydroxide; for 4h; Cooling with ice;

upstream raw materials:

4-(trifluoromethyl)-1,2-phenylenediamine

2-trichloromethyl-5-trifluoromethyl-1H-benzoimidazole

2-trichloromethyl-6-trifluoromethyl-1H-benzoimidazole

Refernces

• 1、 -. "CARBAMATE COMPOUND OR SALT THEREOF". Page/Page column 16. . Retrieved 2011/08/08.
• 2、 -. "Vanilloid receptor ligands and their use in treatments". Page/Page column 25. . Retrieved 2008/06/13.