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

• ChemBase ID: 112166
• Molecular Formular: C15H22N4O4
• Molecular Mass: 322.35958
• Monoisotopic Mass: 322.1641052
• SMILES: CCCCCCCC/C=N/Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]
• Canonical SMILES: CCCCCCCC/C=N/Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]
• InChI: InChI=1S/C15H22N4O4/c1-2-3-4-5-6-7-8-11-16-17-14-10-9-13(18(20)21)12-15(14)19(22)23/h9-12,17H,2-8H2,1H3
• InChIKey: STBNOHBRCCXRIK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2,4-dinitrophenyl)-2-nonylidenehydrazine
• IUPAC Traditional name: 1-(2,4-dinitrophenyl)-2-nonylidenehydrazine
• Synonyms: PELARGONALDEHYDE; Nonyl aldehyde-2,4-DNPH; Pelargonaldehyde-2,4-DNPH; Nonanal 2,4-dinitrophenylhydrazone; 壬醛-2,4-DNPH; 天竺葵醛-2,4-DNPH; 壬醛2,4-二硝基苯腙

Database IDs

• CAS Number: 2348-19-8
• MDL Number: MFCD00050448
• PubChem SID: 162097520
• PubChem CID: 9569603

CALCULATED PROPERTIES

• Acid pKa: 13.065478
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 5.582062
• LogD (pH = 7.4): 5.614142
• Log P: 5.630819
• Molar Refractivity: 90.3383 cm^3
• Polarizability: 32.538235 Å^3
• Polar Surface Area: 116.03 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 99-103 °C

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: ≥98.5% (HPLC/CHN)
• Grade: analytical standard, for environmental analysis
• Shelf Life: (limited shelf life, expiry date on the label)
• Feature: standard type calibration
• Linear Formula: CH3(CH2)7CH=NNHC6H3(NO2)2

DETAILS

MP Biomedicals - 05222800

MP Biomedicals Rare Chemical collection