5-Methyl-2-(4-methylphenyl)-5-nitro-1,3-dioxane

Base Information

• Chemical Name: 5-Methyl-2-(4-methylphenyl)-5-nitro-1,3-dioxane
• CAS No.: 17164-59-9
• Molecular Formula: C12H15NO4
• Molecular Weight: 237.2518
• NSC Number: 27882
• DSSTox Substance ID: DTXSID40282747
• ChEMBL ID: CHEMBL2141645

Synonyms:MLS002639180;17164-59-9;5-methyl-2-(4-methylphenyl)-5-nitro-1,3-dioxane;NSC27882;CHEMBL2141645;DTXSID40282747;HMS3079D19;NSC-27882;SMR001548627

Chemical Property of 5-Methyl-2-(4-methylphenyl)-5-nitro-1,3-dioxane

Chemical Property:

• Vapor Pressure: 1.18E-05mmHg at 25°C
• Boiling Point: 369.6°C at 760 mmHg
• Flash Point: 162.5°C
• Density: 1.21g/cm³
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 237.10010796
• Heavy Atom Count: 17
• Complexity: 273

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C2OCC(CO2)(C)[N+](=O)[O-]

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