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

Base Information

• Chemical Name: 4-(3,5-Difluorophenyl)-4-oxobutyric acid
• CAS No.: 302912-30-7
• Molecular Formula: C10H8 F2 O3
• Molecular Weight: 214.17
• Hs Code.: 2918300090
• European Community (EC) Number: 623-083-0
• DSSTox Substance ID: DTXSID50394704
• Wikidata: Q82194259
• Mol file: 302912-30-7.mol

Synonyms:4-(3,5-Difluorophenyl)-4-oxobutyric acid;302912-30-7;4-(3,5-difluorophenyl)-4-oxobutanoic acid;MFCD01320074;SCHEMBL5081101;DTXSID50394704;AKOS010054979;4-(3,5-Difluorophenyl)-4-oxobutyricacid;CS-0333264;F70273;4-(3,5-Difluorophenyl)-4-oxobutyric acid, 97%;J-017880;InChI=1/C10H8F2O3/c11-7-3-6(4-8(12)5-7)9(13)1-2-10(14)15/h3-5H,1-2H2,(H,14,15

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

Chemical Property:

• Vapor Pressure: 5.19E-06mmHg at 25°C
• Melting Point: 116-119 °C(lit.)
• Refractive Index: 1.511
• Boiling Point: 366.3°Cat760mmHg
• PKA: 4.31±0.17(Predicted)
• Flash Point: 175.4°C
• PSA: 54.37000
• Density: 1.363g/cm³
• LogP: 2.01230
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 214.04415044
• Heavy Atom Count: 15
• Complexity: 245

Purity/Quality:

99%min ^*data from raw suppliers

4-(3,5-Difluorophenyl)-4-oxobutyric acid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=C(C=C(C=C1F)F)C(=O)CCC(=O)O