3-(Difluoromethoxy)-2,4,5-trifluorobenzoic acid

Base Information

• Chemical Name: 3-(Difluoromethoxy)-2,4,5-trifluorobenzoic acid
• CAS No.: 128426-86-8
• Molecular Formula: C8H3 F5 O3
• Molecular Weight: 242.11
• Hs Code.: 2918990090
• DSSTox Substance ID: DTXSID30567095
• Wikidata: Q72463367
• Mol file: 128426-86-8.mol

Synonyms:3-(Difluoromethoxy)-2,4,5-trifluorobenzoic acid;128426-86-8;3-difluoromethoxy-2,4,5-trifluorobenzoic acid;3-(difluoromethoxy)-2,4,5-trifluoro-benzoic acid;SCHEMBL7804048;DTXSID30567095;AKOS015853092;AC-13845;2,4,5-trifluoro-3-difluoromethoxybenzoic acid;3-difluoromethoxy-2,4.5-trifluorobenzoic acid;A805817

Chemical Property of 3-(Difluoromethoxy)-2,4,5-trifluorobenzoic acid

Chemical Property:

• Appearance/Colour: white crystal powder
• Vapor Pressure: 0.00204mmHg at 25°C
• Refractive Index: 1.448
• Boiling Point: 278.5°Cat760mmHg
• PKA: 2.56±0.10(Predicted)
• Flash Point: 122.2°C
• PSA: 46.53000
• Density: 1.615g/cm³
• LogP: 2.40350
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 3
• Exact Mass: 242.00023476
• Heavy Atom Count: 16
• Complexity: 262

Purity/Quality:

99% ^*data from raw suppliers

3-(Difluoromethoxy)-2,4,5-trifluorobenzoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C(=C(C(=C1F)F)OC(F)F)F)C(=O)O