5-(3-Chloro-4-fluorophenyl)-5-oxopentanoic acid

Base Information

• Chemical Name: 5-(3-Chloro-4-fluorophenyl)-5-oxopentanoic acid
• CAS No.: 845790-41-2
• Molecular Formula: C11H10ClFO3
• Molecular Weight: 244.65
• Hs Code.: 2918300090
• European Community (EC) Number: 675-343-8
• DSSTox Substance ID: DTXSID20373960
• Wikidata: Q82162383
• Mol file: 845790-41-2.mol

Synonyms:5-(3-Chloro-4-fluorophenyl)-5-oxovaleric acid;845790-41-2;5-(3-chloro-4-fluorophenyl)-5-oxopentanoic acid;5-(3-chloro-4-fluoro-phenyl)-5-oxo-pentanoic Acid;DTXSID20373960;MFCD06201690;AKOS016022722;5-(3-Chloro-4-fluorophenyl)-5-oxovalericacid

Chemical Property of 5-(3-Chloro-4-fluorophenyl)-5-oxopentanoic acid

Chemical Property:

• Vapor Pressure: 5.09E-08mmHg at 25°C
• Boiling Point: 426.1°C at 760 mmHg
• Flash Point: 211.5°C
• PSA: 54.37000
• Density: 1.349g/cm³
• LogP: 2.91670
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 244.0302500
• Heavy Atom Count: 16
• Complexity: 270

Purity/Quality:

98% ^*data from raw suppliers

5-(3-Chloro-4-fluorophenyl)-5-oxovalericacid 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• 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)Cl)F