Dodecyl 4-chloro-3,5-dinitrobenzoate

Base Information

• Chemical Name: Dodecyl 4-chloro-3,5-dinitrobenzoate
• CAS No.: 94021-87-1
• Molecular Formula: C19H27 Cl N2 O6
• Molecular Weight: 414.88048
• European Community (EC) Number: 301-479-1
• DSSTox Substance ID: DTXSID30240250
• Nikkaji Number: J367.940C
• Wikidata: Q83123015
• Mol file: 94021-87-1.mol

Synonyms:Dodecyl 4-chloro-3,5-dinitrobenzoate;94021-87-1;EINECS 301-479-1;SCHEMBL11341084;DTXSID30240250;4-Chloro-3,5-dinitrobenzoic acid dodecyl ester

Chemical Property of Dodecyl 4-chloro-3,5-dinitrobenzoate

Chemical Property:

• Vapor Pressure: 2.36E-10mmHg at 25°C
• Boiling Point: 505.8°Cat760mmHg
• Flash Point: 259.7°C
• PSA: 117.94000
• Density: 1.204g/cm³
• LogP: 7.28050
• XLogP3: 7.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 13
• Exact Mass: 414.1557643
• Heavy Atom Count: 28
• Complexity: 470

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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