4-(trifluoromethyl)pyrimidine-5-carboxylic Acid

Base Information

• Chemical Name: 4-(trifluoromethyl)pyrimidine-5-carboxylic Acid
• CAS No.: 220880-12-6
• Molecular Formula: C6H3F3N2O2
• Molecular Weight: 192.097
• Hs Code.: 2933998090
• DSSTox Substance ID: DTXSID80469353
• Wikidata: Q82297025
• Mol file: 220880-12-6.mol

Synonyms:4-(trifluoromethyl)pyrimidine-5-carboxylic Acid;220880-12-6;4-trifluoromethyl-pyrimidine-5-carboxylic acid;MFCD11106713;5-Pyrimidinecarboxylic acid, 4-(trifluoromethyl)-;SCHEMBL1671209;DTXSID80469353;OQHVVOYDDRBQRI-UHFFFAOYSA-N;AMY17606;AKOS010969030;AS-8642;CS-W022034;SB35508;SY041251;4-(trifluoromethyl)pyrimidine-5-carboxylic;4-trifluoromethylpyrimidine-5-carboxylic acid;FT-0731516;4-(Trifluoromethyl)pyrimidine-5-carboxylicacid;4-Trifluoromethyl-5-Pyrimidine Carboxylic Acid;EN300-685316;A878739;J-513940

Chemical Property of 4-(trifluoromethyl)pyrimidine-5-carboxylic Acid

Chemical Property:

• Vapor Pressure: 0.001mmHg at 25°C
• Melting Point: 146-148 °C(Solv: chloroform (67-66-3))
• Boiling Point: 291.047°C at 760 mmHg
• PKA: 1.79±0.36(Predicted)
• Flash Point: 129.821°C
• PSA: 63.08000
• Density: 1.576g/cm³
• LogP: 1.19360
• Storage Temp.: Sealed in dry,Room Temperature
• 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:

98%,99%, ^*data from raw suppliers

4-(Trifluoromethyl)pyrimidine-5-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=C(C(=NC=N1)C(F)(F)F)C(=O)O