2-Fluoro-5-(trifluoromethoxy)benzoic acid

Base Information

• Chemical Name: 2-Fluoro-5-(trifluoromethoxy)benzoic acid
• CAS No.: 886497-85-4
• Molecular Formula: C8H4 F4 O3
• Molecular Weight: 224.112
• Hs Code.: 2918990090
• European Community (EC) Number: 677-269-1
• DSSTox Substance ID: DTXSID50397336
• Wikidata: Q82198592
• Mol file: 886497-85-4.mol

Synonyms:2-Fluoro-5-(trifluoromethoxy)benzoic acid;886497-85-4;MFCD04115887;2-FLUORO-5-(TRIFLUOROMETHOXY)BENZOICACID;SCHEMBL1697975;DTXSID50397336;BBL101749;STL555546;AKOS008901301;AM62558;CS-W013074;DS-12987;SY102233;FT-0687153;A20346;H11808;EN300-7421497

Chemical Property of 2-Fluoro-5-(trifluoromethoxy)benzoic acid

Chemical Property:

• Vapor Pressure: 0.0104mmHg at 25°C
• Melting Point: 78-81℃
• Refractive Index: 1.462
• Boiling Point: 251.9°C at 760 mmHg
• PKA: 2.89±0.10(Predicted)
• Flash Point: 106.1°C
• PSA: 46.53000
• Density: 1.529g/cm³
• LogP: 2.42250
• Storage Temp.: Sealed in dry,Room Temperature
• 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% ^*data from raw suppliers

2-Fluoro-5-(trifluoromethoxy)benzoic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1OC(F)(F)F)C(=O)O)F