5-(3,4-Difluorophenyl)-5-oxovaleric acid

Base Information

• Chemical Name: 5-(3,4-Difluorophenyl)-5-oxovaleric acid
• CAS No.: 845790-46-7
• Molecular Formula: C11H10F2O3
• Molecular Weight: 228.19
• Hs Code.: 2918300090
• DSSTox Substance ID: DTXSID10374284
• Wikidata: Q82162813
• Mol file: 845790-46-7.mol

Synonyms:5-(3,4-Difluorophenyl)-5-oxovaleric acid;845790-46-7;5-(3,4-difluorophenyl)-5-oxopentanoic acid;DTXSID10374284;MFCD01320070;AKOS009164799;5-(3,4-Difluorophenyl)-5-oxovalericacid;5-(3,4-Difluoro-phenyl)-5-oxo-pentanoic acid

Chemical Property of 5-(3,4-Difluorophenyl)-5-oxovaleric acid

Chemical Property:

• Vapor Pressure: 4.57E-07mmHg at 25°C
• Boiling Point: 398.5°C at 760 mmHg
• Flash Point: 194.8°C
• PSA: 54.37000
• Density: 1.314g/cm³
• LogP: 2.40240
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 228.05980050
• Heavy Atom Count: 16
• Complexity: 268

Purity/Quality:

99% ^*data from raw suppliers

5-(3,4-Difluorophenyl)-5-oxovalericacid 97% ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

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