2-Isooctyl-4,6-dinitrophenol

Base Information

• Chemical Name: 2-Isooctyl-4,6-dinitrophenol
• CAS No.: 41227-52-5
• Molecular Formula: C14H20 N2 O5
• Molecular Weight: 296.319
• European Community (EC) Number: 255-270-4
• DSSTox Substance ID: DTXSID60194156
• Nikkaji Number: J320.030B
• Wikidata: Q83066912
• Mol file: 41227-52-5.mol

Synonyms:2-Isooctyl-4,6-dinitrophenol;EINECS 255-270-4;41227-52-5;SCHEMBL17965860;DTXSID60194156;2,4-Dinitro-6-(6-methylheptyl)phenol

Chemical Property of 2-Isooctyl-4,6-dinitrophenol

Chemical Property:

• Vapor Pressure: 2.04E-07mmHg at 25°C
• Boiling Point: 413.2°Cat760mmHg
• Flash Point: 166.2°C
• PSA: 111.87000
• Density: 1.215g/cm³
• LogP: 5.01390
• XLogP3: 5.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 296.13722174
• Heavy Atom Count: 21
• Complexity: 350

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CCCCCC1=C(C(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])O