4-Methyl-4-nitrovaleraldehyde

Base Information

• Chemical Name: 4-Methyl-4-nitrovaleraldehyde
• CAS No.: 57620-49-2
• Molecular Formula: C6H11NO3
• Molecular Weight: 145.158
• Hs Code.: 2913000090
• European Community (EC) Number: 677-532-0
• DSSTox Substance ID: DTXSID40483050
• Nikkaji Number: J2.121.980K
• Wikidata: Q82320010
• Mol file: 57620-49-2.mol

Synonyms:4-Methyl-4-nitrovaleraldehyde;57620-49-2;4-Methyl-4-nitropentanal;SCHEMBL1268828;DTXSID40483050;YDVAFDALOGXWTO-UHFFFAOYSA-N;MFCD09030771;AKOS015964023;M1825;D91536

Chemical Property of 4-Methyl-4-nitrovaleraldehyde

Chemical Property:

• Vapor Pressure: 0.067mmHg at 25°C
• Refractive Index: 1.436
• Boiling Point: 90 °C / 3mmHg
• Flash Point: 96.595°C
• PSA: 62.89000
• Density: 1.10
• LogP: 1.54400
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 145.07389321
• Heavy Atom Count: 10
• Complexity: 136

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-Methyl-4-nitrovaleraldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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