Diethyl (2-chloro-5-nitrobenzoyl)malonate

Base Information

• Chemical Name: Diethyl (2-chloro-5-nitrobenzoyl)malonate
• CAS No.: 94088-68-3
• Molecular Formula: C14H14 Cl N O7
• Molecular Weight: 343.71646
• European Community (EC) Number: 302-070-0
• UNII: VSR4V5G6CG
• DSSTox Substance ID: DTXSID60240480
• Nikkaji Number: J288.559J
• Wikidata: Q83123363
• Mol file: 94088-68-3.mol

Synonyms:Diethyl (2-chloro-5-nitrobenzoyl)malonate;94088-68-3;EINECS 302-070-0;DTXSID60240480;Diethyl(2-chloro-5-nitrobenzoyl)malonate;(2-Chloro-5-nitrobenzoyl)malonic acid diethyl ester

Chemical Property of Diethyl (2-chloro-5-nitrobenzoyl)malonate

Chemical Property:

• Vapor Pressure: 6.22E-06mmHg at 25°C
• Boiling Point: 378.6°Cat760mmHg
• Flash Point: 182.8°C
• PSA: 115.49000
• Density: 1.368g/cm³
• LogP: 2.69650
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 8
• Exact Mass: 343.0458795
• Heavy Atom Count: 23
• Complexity: 458

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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