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

Base Information

• Chemical Name: 4-(3-Chloro-5-fluorophenyl)-4-oxobutyric acid
• CAS No.: 845790-47-8
• Molecular Formula: C10H8ClFO3
• Molecular Weight: 230.62
• Hs Code.: 2918300090
• DSSTox Substance ID: DTXSID50373958
• Wikidata: Q82162379
• Mol file: 845790-47-8.mol

Synonyms:4-(3-Chloro-5-fluorophenyl)-4-oxobutyric acid;845790-47-8;4-(3-chloro-5-fluorophenyl)-4-oxobutanoic acid;DTXSID50373958;MFCD06201695;AKOS016022713;4-(3-Chloro-5-fluorophenyl)-4-oxobutyricacid;4-(3-Chloro-5-fluoro-phenyl)-4-oxo-butyric acid

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

Chemical Property:

• Vapor Pressure: 2.41E-07mmHg at 25°C
• Boiling Point: 406.7°C at 760 mmHg
• PKA: 4.33±0.17(Predicted)
• Flash Point: 199.8°C
• PSA: 54.37000
• Density: 1.399g/cm³
• LogP: 2.52660
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 230.0146000
• Heavy Atom Count: 15
• Complexity: 257

Purity/Quality:

98% ^*data from raw suppliers

4-(3-Chloro-5-fluorophenyl)-4-oxobutyricacid 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=C(C=C(C=C1F)Cl)C(=O)CCC(=O)O