3-Amino-2,4,5-trifluorobenzoic acid

Base Information

• Chemical Name: 3-Amino-2,4,5-trifluorobenzoic acid
• CAS No.: 119385-80-7
• Molecular Formula: C7H4F3NO2
• Molecular Weight: 191.109
• Hs Code.: 2922499990
• European Community (EC) Number: 630-205-6
• DSSTox Substance ID: DTXSID70371037
• Nikkaji Number: J1.629.967G
• Wikidata: Q82158260
• Mol file: 119385-80-7.mol

Synonyms:3-amino-2,4,5-trifluorobenzoic acid;119385-80-7;3-amino-2,4,5-trifluoro-benzoic Acid;SCHEMBL3226637;DTXSID70371037;NVWVZPFPZJYLNK-UHFFFAOYSA-N;MFCD00077453;AKOS006229004;AS-49411;CS-0210989;Ethyl2-(1H-benzimidazol-2-ylthio)propanoate;FT-0614922;I10110;A804271

Chemical Property of 3-Amino-2,4,5-trifluorobenzoic acid

Chemical Property:

• Vapor Pressure: 0.000337mmHg at 25°C
• Melting Point: 133-136 °C
• Refractive Index: 1.553
• Boiling Point: 306.4 °C at 760 mmHg
• PKA: 3.03±0.10(Predicted)
• Flash Point: 139.1 °C
• PSA: 63.32000
• Density: 1.635 g/cm³
• LogP: 1.96550
• Storage Temp.: 2-8°C
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 191.01941286
• Heavy Atom Count: 13
• Complexity: 214

Purity/Quality:

98% ^*data from raw suppliers

3-Amino-2,4,5-trifluorobenzoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C(=C(C(=C1F)F)N)F)C(=O)O
• Uses: 3-Amino-2,4,5-trifluorobenzoic Acid is used in the preparation of 7-(azaspiroalkanyl)quinolonecarboxylates and analogs as bactericides.

Technology Process of 3-Amino-2,4,5-trifluorobenzoic acid

There total 5 articles about 3-Amino-2,4,5-trifluorobenzoic 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: 80.0%

4-amino-3,5,6-trifluorophthalic acid (169542-84-1) → 3-amino-2,4,5-trifluorobenzoic acid (119385-80-7)

Guidance literature:

With sulfuric acid; ammonium chloride; triethylamine; In water; at 130 ℃; for 170h; Sealed tube;

DOI:10.1016/j.jfluchem.2011.09.010

Reference yield: 76.0%

4-amino-3,5,6-trifluoro-1,2-phenylene dicyanide (25693-94-1) → 3-amino-2,4,5-trifluorobenzoic acid (119385-80-7)

Guidance literature:

With hydrogenchloride; water; at 100 ℃;

Reference yield: 63.0%

→ 3-amino-2,4,5-trifluorobenzoic acid (119385-80-7)

Guidance literature:

upstream raw materials:

4-amino-3,5,6-trifluorophthalic acid

3,4,5,6-tetrafluorophthalic acid

Tetrafluorophthalonitrile

4-amino-3,5,6-trifluoro-1,2-phenylene dicyanide

Downstream raw materials:

3-acetamido-2,4,5-trifluorobenzoic acid

3-Chloro-2,4,5-trifluorobenzoyl chloride

Refernces

• 1、 Vaganova, Tamara A.,Shundrina, Inna K.,Kusov, Soltan Z.,Karpova, Elena V.,Bagryanskaya, Irina Yu.,Malykhin, Evgenij V.. "Synthesis and characterization of the first perfluoroaromatic polyimide of the AB-type". experimental part. p. 129 - 136. Retrieved 2012/03/27.
• 2、 -. "3-amino-2,4,5-trifluorobenzoic acid and a method for manufacture thereof". . . Retrieved 2008/06/13.