N-[(Z)-(2,5-dimethylphenyl)methylideneamino]-2,4-dinitroaniline

Base Information

• Chemical Name: N-[(Z)-(2,5-dimethylphenyl)methylideneamino]-2,4-dinitroaniline
• CAS No.: 152477-96-8
• Molecular Formula: C15H14 N4 O4
• Molecular Weight: 314.3
• European Community (EC) Number: 622-535-4
• Mol file: 152477-96-8.mol

Synonyms:152477-96-8;2,5-Dimethylbenzaldehyde-2,4-dinitrophenylhydrazone;(E)-1-(2,5-dimethylbenzylidene)-2-(2,4-dinitrophenyl)hydrazine;2,5-Dimethylbenzaldehyde-2,4-dinitrophenylhydrazone 100 microg/mL in Acetonitrile

Chemical Property of N-[(Z)-(2,5-dimethylphenyl)methylideneamino]-2,4-dinitroaniline

Chemical Property:

• Melting Point: 219-221 °C(lit.)
• Boiling Point: 487.5±45.0 °C(Predicted)
• PKA: 11.26±0.10(Predicted)
• PSA: 116.03000
• Density: 1.33±0.1 g/cm3(Predicted)
• LogP: 4.68520
• Storage Temp.: ?20°C
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 314.10150494
• Heavy Atom Count: 23
• Complexity: 459

Purity/Quality:

98%min ^*data from raw suppliers

2,5-DIMETHYLBENZALDEHYDE 2,4-DINITROPHENYLHYDRAZONE 99.00% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22-36/37/38-41-37/38
• Safety Statements: 26-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1)C)C=NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]
• Isomeric SMILES: CC1=CC(=C(C=C1)C)/C=N\NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]