5,5-Dimethyl-3-(4-bromophenyl)cyclohex-2-en-1-one

Base Information

• Chemical Name: 5,5-Dimethyl-3-(4-bromophenyl)cyclohex-2-en-1-one
• CAS No.: 72036-54-5
• Molecular Formula: C14H15 Br O
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID20222348
• Wikidata: Q83100551
• Mol file: 72036-54-5.mol

Synonyms:72036-54-5;5,5-Dimethyl-3-(4-bromophenyl)cyclohex-2-en-1-one;5,5-Dimethyl-3-(4-bromophenyl)-cyclohex-2-enone;DTXSID20222348;5,5-Dimethyl-3-(4-bromophenyl)-cyclohex-2-en-1-one

Chemical Property of 5,5-Dimethyl-3-(4-bromophenyl)cyclohex-2-en-1-one

Chemical Property:

• Vapor Pressure: 0.000123mmHg at 25°C
• Boiling Point: 335°C at 760 mmHg
• Flash Point: 36.6°C
• PSA: 17.07000
• Density: 1.31g/cm³
• LogP: 4.22160
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 278.03063
• Heavy Atom Count: 16
• Complexity: 309

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CC(=CC(=O)C1)C2=CC=C(C=C2)Br)C