1-cyclohexylidene-2-(2,4-dinitrophenyl)hydrazine

• ChemBase ID: 158753
• Molecular Formular: C12H14N4O4
• Molecular Mass: 278.26396
• Monoisotopic Mass: 278.10150495
• SMILES: c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])NN=C1CCCCC1
• Canonical SMILES: [O-][N+](=O)c1cc(ccc1NN=C1CCCCC1)[N+](=O)[O-]
• InChI: InChI=1S/C12H14N4O4/c17-15(18)10-6-7-11(12(8-10)16(19)20)14-13-9-4-2-1-3-5-9/h6-8,14H,1-5H2
• InChIKey: QLWXZRVOHCYKKK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclohexylidene-2-(2,4-dinitrophenyl)hydrazine
• IUPAC Traditional name: 1-cyclohexylidene-2-(2,4-dinitrophenyl)hydrazine
• Synonyms: Cyclohexanone 2,4-dinitrophenylhydrazone; Cyclohexanone 2,4-dinitrophenylhydrazone; Cyclohexanone-2,4-DNPH; 环己酮-2,4-二硝基苯腙; 环己酮-2,4-二硝基苯腙; 环己酮-2,4-DNPH; 环己酮2,4-二硝基苯基腙

Database IDs

• CAS Number: 1589-62-4
• EC Number: 216-458-1
• MDL Number: MFCD00001658
• PubChem SID: 24851549; 24867891; 162252889
• PubChem CID: 74117

CALCULATED PROPERTIES

• Acid pKa: 11.955884
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 4.1222425
• LogD (pH = 7.4): 4.128477
• Log P: 4.133027
• Molar Refractivity: 72.6261 cm^3
• Polarizability: 26.347649 Å^3
• Polar Surface Area: 110.67 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 158-160°C; 159-160 °C(lit.)

Safety Information

• German water hazard class: 3
• TSCA Listed: 否

Product Information

• Purity: ≥99%; 99%
• Grade: analytical standard
• Packaging: ampule of 100 mg
• Feature: standard type calibration
• Linear Formula: C6H10[=NNHC6H3(NO2)2]

DETAILS

Sigma Aldrich - 192457

Application
Useful standard for elemental analysis
Packaging
1 g in glass bottle
500 mg in glass bottle