2-phenyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic Acid

Base Information

• Chemical Name: 2-phenyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic Acid
• CAS No.: 338982-16-4
• Molecular Formula: C11H6F3NO2S
• Molecular Weight: 0.00000
• Hs Code.: 2934100090
• DSSTox Substance ID: DTXSID701211467
• Mol file: 338982-16-4.mol

Synonyms:2-phenyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic Acid;338982-16-4;MFCD01936012;2-Phenyl-4-(trifluoromethyl)thiazole-5-carboxylic acid;SCHEMBL4497703;DTXSID701211467;AKOS005082243;1G-387S;2-Phenyl-4-trifluoromethyl-thiazole-5-carboxylic acid;2-Phenyl-4-(trifluoromethyl)-5-thiazolecarboxylic acid

Chemical Property of 2-phenyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic Acid

Chemical Property:

• Melting Point: 188-190
• Boiling Point: 405.7±55.0 °C(Predicted)
• PKA: 1.79±0.36(Predicted)
• PSA: 0.00000
• Density: 1.489±0.06 g/cm3(Predicted)
• LogP: 0.00000
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 273.00713409
• Heavy Atom Count: 18
• Complexity: 318

Purity/Quality:

99% ^*data from raw suppliers

2-Phenyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=NC(=C(S2)C(=O)O)C(F)(F)F