4-Bromo-1-(3,4-dimethylphenyl)butan-1-one

Base Information

• Chemical Name: 4-Bromo-1-(3,4-dimethylphenyl)butan-1-one
• CAS No.: 175204-93-0
• Molecular Formula: C12H15BrO
• Molecular Weight: 255.15
• Hs Code.: 2914700090
• DSSTox Substance ID: DTXSID00381982
• Wikidata: Q82173228
• Mol file: 175204-93-0.mol

Synonyms:4-bromo-1-(3,4-dimethylphenyl)butan-1-one;175204-93-0;1-Butanone, 4-bromo-1-(3,4-dimethylphenyl)-;1-Butanone,4-bromo-1-(3,4-dimethylphenyl)-;DTXSID00381982;MFCD00277684;AKOS015910848

Chemical Property of 4-Bromo-1-(3,4-dimethylphenyl)butan-1-one

Chemical Property:

• Vapor Pressure: 4.71E-05mmHg at 25°C
• Refractive Index: 1.542
• Boiling Point: 349.4 °C at 760 mmHg
• Flash Point: 67.7 °C
• PSA: 17.07000
• Density: 1.277 g/cm³
• LogP: 3.66120
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 254.03063
• Heavy Atom Count: 14
• Complexity: 191

Purity/Quality:

99% ^*data from raw suppliers

4-bromo-1-(3,4-dimethylphenyl)butan-1-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=C(C=C1)C(=O)CCCBr)C