1-(3-Chloro-2,6-dihydroxy-4-methoxyphenyl)-1-hexanone

Base Information

• Chemical Name: 1-(3-Chloro-2,6-dihydroxy-4-methoxyphenyl)-1-hexanone
• CAS No.: 113411-17-9
• Molecular Formula: C13H17 Cl O4
• Molecular Weight: 272.72
• DSSTox Substance ID: DTXSID50150408
• Nikkaji Number: J652.688H
• Wikidata: Q83016496
• ChEMBL ID: CHEMBL1437894
• Mol file: 113411-17-9.mol

Synonyms:1-(3-chloro-2,6-dihydroxy-4-methoxyphenyl)-1-hexanone;DIF-3 (Dictyostelium);differentiation-inducing factor-3, Dictyostelium

Chemical Property of 1-(3-Chloro-2,6-dihydroxy-4-methoxyphenyl)-1-hexanone

Chemical Property:

• Vapor Pressure: 1.53E-07mmHg at 25°C
• Boiling Point: 416.9°Cat760mmHg
• PKA: 5.92±0.45(Predicted)
• Flash Point: 205.9°C
• PSA: 66.76000
• Density: 1.24g/cm³
• LogP: 3.52280
• Solubility.: DMSO: 46 mg/mL, soluble
• XLogP3: 4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 272.0815367
• Heavy Atom Count: 18
• Complexity: 272

Purity/Quality:

97% ^*data from raw suppliers

DIF-3 ≥99% (HPLC), solid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCCC(=O)C1=C(C(=C(C=C1O)OC)Cl)O