5-(4-Bromophenyl)cyclohexane-1,3-dione

Base Information

• Chemical Name: 5-(4-Bromophenyl)cyclohexane-1,3-dione
• CAS No.: 239132-48-0
• Molecular Formula: C₁₂H₁₁BrO₂
• Molecular Weight: 267.122
• Hs Code.: 2914700090
• DSSTox Substance ID: DTXSID30592746
• Wikidata: Q82487018
• Mol file: 239132-48-0.mol

Synonyms:5-(4-Bromophenyl)cyclohexane-1,3-dione;239132-48-0;5-(4-BROMO-PHENYL)-CYCLOHEXANE-1,3-DIONE;SCHEMBL7688021;DTXSID30592746;GQCQFGJLUYXUAG-UHFFFAOYSA-N;CS-D0084;MFCD03844400;AKOS015996617;5-(4-Bromo-phenyl)cyclohexane-1,3-dione;5-(4-Bromophenyl)cyclohexane-1 pound not3-dione;A878096;5-(4-DIMETHYLAMINO-BENZOYLAMINO)-2-ETHOXY-BENZENESULFONYLCHLORIDE

Chemical Property of 5-(4-Bromophenyl)cyclohexane-1,3-dione

Chemical Property:

• Vapor Pressure: 1.26E-06mmHg at 25°C
• Refractive Index: 1.582
• Boiling Point: 400.5°C at 760 mmHg
• PKA: 4.84±0.20(Predicted)
• Flash Point: 139.4°C
• PSA: 34.14000
• Density: 1.485g/cm³
• LogP: 2.85480
• Storage Temp.: 2-8°C
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 265.99424
• Heavy Atom Count: 15
• Complexity: 251

Purity/Quality:

99%, ^*data from raw suppliers

5-(4-Bromophenyl)-3-hydroxy-cyclohex-2-en-1-one >95% ^*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=C(C=C2)Br

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