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

• ChemBase ID: 147852
• Molecular Formular: C13H10N4O4
• Molecular Mass: 286.2429
• Monoisotopic Mass: 286.07020482
• SMILES: c1ccc(cc1)/C=N/Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]
• Canonical SMILES: [O-][N+](=O)c1cc(ccc1N/N=C/c1ccccc1)[N+](=O)[O-]
• InChI: InChI=1S/C13H10N4O4/c18-16(19)11-6-7-12(13(8-11)17(20)21)15-14-9-10-4-2-1-3-5-10/h1-9,15H
• InChIKey: DZPRPFUXOZTWAJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2,4-dinitrophenyl)-2-(phenylmethylidene)hydrazine
• IUPAC Traditional name: 1-(2,4-dinitrophenyl)-2-(phenylmethylidene)hydrazine
• Synonyms: Benzaldehyde-2,4-dinitrophenylhydrazone; Benzaldehyde-2,4-dinitrophenylhydrazone solution; Benzaldehyde-2,4-DNPH solution; Benzaldehyde-2,4-dinitrophenylhydrazone; Benzaldehyde-2,4-DNPH; 苯甲醛-2,4-二硝基苯基腙; 苯甲醛-2,4-二硝基苯基腙 溶液; 苯甲醛-DNPH 溶液; 苯甲醛-2,4-二硝基苯基腙; 苯甲醛-2,4-DNPH

Database IDs

• CAS Number: 1157-84-2
• EC Number: 200-835-2
• MDL Number: MFCD00156353
• PubChem SID: 24866873; 162242034; 24867862
• PubChem CID: 9566364

CALCULATED PROPERTIES

• Acid pKa: 12.845631
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 4.3193474
• LogD (pH = 7.4): 4.327374
• Log P: 4.330581
• Molar Refractivity: 79.0291 cm^3
• Polarizability: 27.409372 Å^3
• Polar Surface Area: 116.03 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 239-241 °C(lit.)

Safety Information

• European Hazard Symbols: Flammable (F); Harmful (Xn)
• UN Number: 1648
• German water hazard class: 2; 3
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11-20/21/22-36; 22
• Safety Statements: 16-36/37
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302; H302-H312-H319-H332
• GHS Precautionary statements: P280-P305 + P351 + P338
• RID/ADR: UN 1648 3/PG 2
• Storage Temperature: 2-8°C

Product Information

• Purity: 99%
• Concentration: 100 μg/mL in acetonitrile (as aldehyde equivalent)
• Grade: analytical standard; environmental standard
• Packaging: ampule of 1 mL; ampule of 100 mg
• Feature: standard type calibration
• Linear Formula: C6H5CH=NNHC6H3(NO2)2

DETAILS

Sigma Aldrich - 429600

Packaging
20 mg in glass bottle