2,3,6-Trifluoropyridine-4-carboxylic acid

Base Information

• Chemical Name: 2,3,6-Trifluoropyridine-4-carboxylic acid
• CAS No.: 675602-92-3
• Molecular Formula: C6H2F3NO2
• Molecular Weight: 177.08
• Hs Code.: 2933399090
• European Community (EC) Number: 633-183-6
• DSSTox Substance ID: DTXSID80382331
• Wikidata: Q82173654
• Mol file: 675602-92-3.mol

Synonyms:675602-92-3;2,3,6-Trifluoropyridine-4-carboxylic acid;2,3,6-Trifluoroisonicotinic acid;MFCD03840204;2, 3, 6-Trifluoroisonicotinic acid;4-Pyridinecarboxylic acid, 2,3,6-trifluoro-;SCHEMBL3387152;DTXSID80382331;BBL100611;STL554405;AKOS005254689;MS-20045;2,3,6-trifluoro-4-pyridinecarboxylic acid;4-Pyridinecarboxylicacid,2,3,6-trifluoro-;CS-0256441;FT-0676772;2,3,6-tris(fluoranyl)pyridine-4-carboxylic acid;EN300-6488078;2,3,6-Trifluoropyridine-4-carboxylic acid, 90%;A835814;Z1203162190

Chemical Property of 2,3,6-Trifluoropyridine-4-carboxylic acid

Chemical Property:

• Vapor Pressure: 2.22E-06mmHg at 25°C
• Melting Point: 115-121 °C
• Refractive Index: 1.491
• Boiling Point: 377.8 °C at 760 mmHg
• PKA: 1.76±0.10(Predicted)
• Flash Point: 182.3 °C
• PSA: 50.19000
• Density: 1.642 g/cm³
• LogP: 1.19710
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 177.00376279
• Heavy Atom Count: 12
• Complexity: 190

Purity/Quality:

99% ^*data from raw suppliers

2,3,6-TrifluoroisonicotinicAcid ^*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(N=C1F)F)F)C(=O)O