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

• ChemBase ID: 156775
• Molecular Formular: C8H8N4O4
• Molecular Mass: 224.17352
• Monoisotopic Mass: 224.05455476
• SMILES: C/C=N/Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]
• Canonical SMILES: C/C=N/Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]
• InChI: InChI=1S/C8H8N4O4/c1-2-9-10-7-4-3-6(11(13)14)5-8(7)12(15)16/h2-5,10H,1H3
• InChIKey: ONBOQRNOMHHDFB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2,4-dinitrophenyl)-2-ethylidenehydrazine; (E)-1-(2,4-dinitrophenyl)-2-ethylidenehydrazine
• IUPAC Traditional name: 1-(2,4-dinitrophenyl)-2-ethylidenehydrazine; (E)-1-(2,4-dinitrophenyl)-2-ethylidenehydrazine
• Synonyms: Acetaldehyde-2,4-dinitrophenylhydrazone; Acetaldehyde (2,4-Dinitrophenyl)hydrazone; Ethanal-2,4-dinitrophenylhydrazone; NSC 403216; Acetaldehyde 2,4-Dinitrophenylhydrazone; Acetaldehyde-2,4-dinitrophenylhydrazone; Acetaldehyde-2,4-DNPH; 乙醛-2,4-二硝基苯腙; 乙醛-2,4-二硝基苯腙; 乙醛-2,4-DNPH

Database IDs

• CAS Number: 1019-57-4
• MDL Number: MFCD00458721
• PubChem SID: 162250912; 24867851; 24866869; 24892229
• PubChem CID: 5367495

CALCULATED PROPERTIES

• Acid pKa: 13.17087
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 2.2534413
• LogD (pH = 7.4): 2.2598298
• Log P: 2.262871
• Molar Refractivity: 58.1054 cm^3
• Polarizability: 19.781273 Å^3
• Polar Surface Area: 116.03 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 165-168 °C(lit.)

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-36/37/38-43
• Safety Statements: 26-36/37
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H315-H317-H319-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves
• Storage Temperature: 2-8°C

Product Information

• Purity: 99%
• Grade: analytical standard; analytical standard, for environmental analysis; BCR® certified Reference Material
• Packaging: ampule of 100 mg
• Feature: standard type calibration
• Linear Formula: CH3CH=NNHC6H3(NO2)2

DETAILS

Sigma Aldrich - BCR547

Legal Information
BCR is a registered trademark of European Commission

Sigma Aldrich - 429554

Packaging
20 mg in glass bottle

Toronto Research Chemicals - A132700

Acetaldehyde 2,4-Dinitrophenylhydrazone is a dinitrophenylhydrazone (DNPH) derivative of an aliphatic alldehyde found in mainstream cigarette smoke.

REFERENCES

• Zwiener, C. et al.: Anal. Bioanal. Chem., 372, 615 (2002)
• Delgado, B. et al.: J. Liq. Chrom. Rel. Technol., 31, 361 (2002)
• Miller, J.H. et al.: J. Chrom. Sci., 48, 12 (2002)