3-(3,4-Dichlorophenyl)-1-phenylprop-2-en-1-one

Base Information

• Chemical Name: 3-(3,4-Dichlorophenyl)-1-phenylprop-2-en-1-one
• CAS No.: 59826-45-8
• Molecular Formula: C15H10Cl2O
• Molecular Weight: 277.1453
• European Community (EC) Number: 664-990-1
• NSC Number: 237975
• DSSTox Substance ID: DTXSID301035409
• Nikkaji Number: J1.949.969C,J2.778.839D
• Wikidata: Q76310813
• ChEMBL ID: CHEMBL442671
• Mol file: 59826-45-8.mol

Synonyms:3-(3,4-Dichlorophenyl)-1-phenylprop-2-en-1-one;59826-45-8;3,4-dichlorochalcone;(E)-3-(3,4-dichlorophenyl)-1-phenylprop-2-en-1-one;NSC 43077;3-(3,4-Dichlorophenyl)-1-phenyl-2-propen-1-one;NSC43077;(E)-3,4-Dichlorochalcone;SCHEMBL656338;CHEMBL442671;DTXSID301035409;NSC237975;AKOS022422218;NSC-237975;22966-16-1;(E)-3-(3,4-dichlorophenyl)-1-phenyl-prop-2-en-1-one;2-Propen-1-one, 3-(3,4-dichlorophenyl)-1-phenyl-, (2E)-;(2E)-3-(3,4-DICHLOROPHENYL)-1-PHENYLPROP-2-EN-1-ONE

Chemical Property of 3-(3,4-Dichlorophenyl)-1-phenylprop-2-en-1-one

Chemical Property:

• Vapor Pressure: 3.65E-07mmHg at 25°C
• Boiling Point: 417°C at 760 mmHg
• Flash Point: 176.1°C
• PSA: 17.07000
• Density: 1.296g/cm³
• LogP: 4.88950
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 276.0108703
• Heavy Atom Count: 18
• Complexity: 308

Purity/Quality:

99% ^*data from raw suppliers

3-(3,4-DICHLOROPHENYL)-1-PHENYLPROP-2-EN-1-ONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)C=CC2=CC(=C(C=C2)Cl)Cl
• Isomeric SMILES: C1=CC=C(C=C1)C(=O)/C=C/C2=CC(=C(C=C2)Cl)Cl