5-(3-Chlorophenyl)cyclohexane-1,3-dione

Base Information

• Chemical Name: 5-(3-Chlorophenyl)cyclohexane-1,3-dione
• CAS No.: 55579-71-0
• Molecular Formula: C12H11ClO2
• Molecular Weight: 222.671
• Hs Code.: 2914700090
• DSSTox Substance ID: DTXSID10343036
• Nikkaji Number: J1.176.734F
• Wikidata: Q82114164
• ChEMBL ID: CHEMBL1938992
• Mol file: 55579-71-0.mol

Synonyms:5-(3-chlorophenyl)cyclohexane-1,3-dione;55579-71-0;5-(3-Chloro-phenyl)-cyclohexane-1,3-dione;1,3-Cyclohexanedione, 5-(3-chlorophenyl)-;1,3-Cyclohexanedione, 5-[3-chlorophenyl]-;Maybridge1_007757;HMS563I13;SCHEMBL6605801;CHEMBL1938992;DTXSID10343036;MFCD00111880;STK415089;AKOS000265775;CCG-250634;NCGC00339245-01;AS-42072;5-(3-Chlorophenyl)-1,3-cyclohexanedione #;CS-0163679;FT-0679272;AB01331708-02

Chemical Property of 5-(3-Chlorophenyl)cyclohexane-1,3-dione

Chemical Property:

• Vapor Pressure: 4.43E-06mmHg at 25°C
• Refractive Index: 1.565
• Boiling Point: 383.3 °C at 760 mmHg
• PKA: 4.81±0.20(Predicted)
• Flash Point: 162.1 °C
• PSA: 34.14000
• Density: 1.268 g/cm³
• LogP: 2.74570
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 222.0447573
• Heavy Atom Count: 15
• Complexity: 259

Purity/Quality:

98%Min ^*data from raw suppliers

5-(3-Chlorophenyl)cyclohexane-1,3-dione ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(CC(=O)CC1=O)C2=CC(=CC=C2)Cl