1-(2,4-dinitrophenyl)-2-propylidenehydrazine

• ChemBase ID: 158704
• Molecular Formular: C9H10N4O4
• Molecular Mass: 238.2001
• Monoisotopic Mass: 238.07020482
• SMILES: CC/C=N/Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]
• Canonical SMILES: CC/C=N/Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]
• InChI: InChI=1S/C9H10N4O4/c1-2-5-10-11-8-4-3-7(12(14)15)6-9(8)13(16)17/h3-6,11H,2H2,1H3
• InChIKey: NFQHZOZOFGDSIN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2,4-dinitrophenyl)-2-propylidenehydrazine
• IUPAC Traditional name: 1-(2,4-dinitrophenyl)-2-propylidenehydrazine
• Synonyms: Propionaldehyde-2,4-dinitrophenylhydrazone; Propionaldehyde-2,4-dinitrophenylhydrazone; Propionaldehyde-2,4-DNPH; 丙醛-2,4-二硝基苯腙; 丙醛-2,4-二硝基苯腙; 丙醛-2,4-DNPH

Database IDs

• CAS Number: 725-00-8
• MDL Number: MFCD00191484
• PubChem SID: 24866868; 162252840; 24868008
• PubChem CID: 9601284

CALCULATED PROPERTIES

• Acid pKa: 13.062622
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 2.952374
• LogD (pH = 7.4): 2.959749
• Log P: 2.9634068
• Molar Refractivity: 62.7323 cm^3
• Polarizability: 21.594164 Å^3
• Polar Surface Area: 116.03 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 152-155 °C(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 99%
• Grade: analytical standard; analytical standard, for environmental analysis
• Packaging: ampule of 100 mg
• Feature: standard type calibration
• Linear Formula: C2H5CH=NNHC6H3(NO2)2

DETAILS

Sigma Aldrich - 429546

Packaging
20 mg in glass bottle