4-(Trifluoromethyl)thiazole-2-carboxylic acid

Base Information

• Chemical Name: 4-(Trifluoromethyl)thiazole-2-carboxylic acid
• CAS No.: 944900-55-4
• Molecular Formula: C5H2F3NO2S
• Molecular Weight: 197.14
• Hs Code.: 2934100090
• DSSTox Substance ID: DTXSID70595473
• Wikidata: Q72512993
• Mol file: 944900-55-4.mol

Synonyms:944900-55-4;4-(TRIFLUOROMETHYL)THIAZOLE-2-CARBOXYLIC ACID;4-(trifluoromethyl)-1,3-thiazole-2-carboxylic acid;4-(Trifluoromethyl-1,3-thiazole-2-carboxylic acid;MFCD07377490;_x000D_4-(Trifluoromethyl)thiazole-2-carboxylic Acid;2-Thiazolecarboxylicacid, 4-(trifluoromethyl)-;4-(Trifluoromethyl)-2-thiazolecarboxylic acid;SCHEMBL312511;DTXSID70595473;AKOS006283002;AB41857;AC-7215;PS-6737;SY005167;4-trifluoromethylthiazole-2-carboxylic acid;DB-028615;4-trifluoromethyl-thiazole-2-carboxylic acid;4-trifluoromethylthiazol-2-ylcarboxylic acid;4-(Trifluoro methyl)thiazole-2-carboxylic acid;EN300-1175052;Q-101055;Z1198173178

Chemical Property of 4-(Trifluoromethyl)thiazole-2-carboxylic acid

Chemical Property:

• Vapor Pressure: 0.001mmHg at 25°C
• Refractive Index: 1.498
• Boiling Point: 294.305 °C at 760 mmHg
• PKA: 2.49±0.10(Predicted)
• Flash Point: 131.791 °C
• PSA: 78.43000
• Density: 1.668 g/cm³
• LogP: 1.86010
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 1
• Exact Mass: 196.97583397
• Heavy Atom Count: 12
• Complexity: 196

Purity/Quality:

98%min ^*data from raw suppliers

4-(Trifluoromethyl)thiazole-2-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(N=C(S1)C(=O)O)C(F)(F)F