3-(Trifluoromethyl)pyrazine-2-carboxylic acid

Base Information

• Chemical Name: 3-(Trifluoromethyl)pyrazine-2-carboxylic acid
• CAS No.: 870787-06-7
• Molecular Formula: C6H3F3N2O2
• Molecular Weight: 192.097
• European Community (EC) Number: 807-368-9
• DSSTox Substance ID: DTXSID40705527
• Wikidata: Q72512603
• Mol file: 870787-06-7.mol

Synonyms:3-(Trifluoromethyl)pyrazine-2-carboxylic acid;870787-06-7;3-Trifluoromethyl-pyrazine-2-carboxylic acid;Pyrazinecarboxylic acid, 3-(trifluoromethyl)-;MFCD20646033;2-Trifluoromethylpyrazine-3-carboxylic acid;SCHEMBL630383;AMY6410;DTXSID40705527;AKOS016005990;DS-15443;3-trifluoromethylpyrazine-2-carboxylic acid;3-(Trifluoromethyl)pyrazine-2-carboxylicacid;3-Trifluoromethyl-2-pyrazine carboxylic acid;CS-0097637;EN300-129771;F12197;A862871

Chemical Property of 3-(Trifluoromethyl)pyrazine-2-carboxylic acid

Chemical Property:

• Boiling Point: 271.3±40.0℃ (760 Torr)
• PKA: 1.96±0.36(Predicted)
• Flash Point: 117.9±27.3℃
• PSA: 63.08000
• Density: 1.575±0.06 g/cm3 (20 oC 760 Torr)
• LogP: 1.19360
• Storage Temp.: 2-8°C
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 1
• Exact Mass: 192.01466183
• Heavy Atom Count: 13
• Complexity: 207

Purity/Quality:

NLT 98% ^*data from raw suppliers

3-(Trifluoromethyl)pyrazine-2-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN=C(C(=N1)C(=O)O)C(F)(F)F
• Uses: 3-(Trifluoromethyl)pyrazine-2-carboxylic Acid is used as a reactant in synthesis and biological activity of a novel fungicide, (N-Biphenylyl)pyrazine Carboxamides.