3,3-Difluorocyclobutane-1,1-dicarboxylic acid

Base Information

• Chemical Name: 3,3-Difluorocyclobutane-1,1-dicarboxylic acid
• CAS No.: 827032-80-4
• Molecular Formula: C6H6 F2 O4
• Molecular Weight: 180.11
• European Community (EC) Number: 860-201-1
• DSSTox Substance ID: DTXSID70698731
• Nikkaji Number: J2.123.964J
• Wikidata: Q82629150
• Mol file: 827032-80-4.mol

Synonyms:3,3-Difluorocyclobutane-1,1-dicarboxylic acid;827032-80-4;SCHEMBL14690934;DTXSID70698731;MFCD10001484;AKOS006305692;BS-42778;CS-0183293;3,3-Difluorocyclobutane-1,1-dicarboxylicacid;P20946

Chemical Property of 3,3-Difluorocyclobutane-1,1-dicarboxylic acid

Chemical Property:

• Melting Point: 170.2-171.2 °C
• Boiling Point: 365.0±42.0 °C(Predicted)
• PKA: 2.66±0.50(Predicted)
• Density: 1.63±0.1 g/cm3(Predicted)
• Storage Temp.: 2-8°C
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 180.02341499
• Heavy Atom Count: 12
• Complexity: 224

Purity/Quality:

97% ^*data from raw suppliers

3,3-Difluorocyclobutane-1,1-dicarboxylicacid 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(CC1(F)F)(C(=O)O)C(=O)O

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