2-Acetyl-3,6-difluorobenzoic acid

Base Information

• Chemical Name: 2-Acetyl-3,6-difluorobenzoic acid
• CAS No.: 319457-34-6
• Molecular Formula: C9H6F2O3
• Molecular Weight: 200.14
• Hs Code.: 2918300090
• European Community (EC) Number: 630-014-8
• DSSTox Substance ID: DTXSID40377708
• Wikidata: Q82167032
• Mol file: 319457-34-6.mol

Synonyms:2-acetyl-3,6-difluorobenzoic acid;319457-34-6;2-ACETYL-3,6-DIFLUOROBENZOICACID;SCHEMBL3757971;DTXSID40377708;MFCD00800682;AKOS005257930;CS-0365373;FT-0600100;A821066

Chemical Property of 2-Acetyl-3,6-difluorobenzoic acid

Chemical Property:

• Vapor Pressure: 0.000197mmHg at 25°C
• Melting Point: 83-88°C
• Refractive Index: 1.52
• Boiling Point: 314.5 °C at 760 mmHg
• PKA: 2.86±0.10(Predicted)
• Flash Point: 144 °C
• PSA: 54.37000
• Density: 1.41 g/cm³
• LogP: 1.86560
• Storage Temp.: 2-8°C
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 200.02850037
• Heavy Atom Count: 14
• Complexity: 254

Purity/Quality:

97% ^*data from raw suppliers

2-Acetyl-3,6-difluorobenzoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=C(C=CC(=C1C(=O)O)F)F

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