4-Fluoro-3-(trifluoromethoxy)benzoic acid

Base Information

• Chemical Name: 4-Fluoro-3-(trifluoromethoxy)benzoic acid
• CAS No.: 886496-49-7
• Molecular Formula: C8H4 F4 O3
• Molecular Weight: 224.112
• Hs Code.: 2918990090
• European Community (EC) Number: 630-103-1
• DSSTox Substance ID: DTXSID30590686
• Wikidata: Q82484323
• Mol file: 886496-49-7.mol

Synonyms:4-Fluoro-3-(trifluoromethoxy)benzoic acid;886496-49-7;MFCD06660161;SCHEMBL1110964;DTXSID30590686;TD8208;AKOS015955990;PS-7792;4-Fluoro-3-(trifluoromethoxy)benzoicacid;4-Fluoro-3-trifluoromethoxy-benzoic acid;SY227885;CS-0084844;EN300-110359;Z1431007094

Chemical Property of 4-Fluoro-3-(trifluoromethoxy)benzoic acid

Chemical Property:

• Melting Point: 86-90°C
• Boiling Point: 253.6±35.0 °C(Predicted)
• PKA: 3.76±0.10(Predicted)
• PSA: 46.53000
• Density: 1.529±0.06 g/cm3(Predicted)
• LogP: 2.42250
• Storage Temp.: 2-8°C
• Sensitive.: Air Sensitive
• Water Solubility.: Insoluble in water.
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 224.00965663
• Heavy Atom Count: 15
• Complexity: 241

Purity/Quality:

98%Min ^*data from raw suppliers

4-Fluoro-3-(trifluoromethoxy)benzoicAcid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1C(=O)O)OC(F)(F)F)F
• Uses: 4-Fluoro-3-(trifluoromethoxy)benzoic acid is used as a pharmaceutical intermediate.