(2,4-dinitrophenyl)hydrazine; phosphoric acid

• ChemBase ID: 158408
• Molecular Formular: C6H9N4O8P
• Molecular Mass: 296.131421
• Monoisotopic Mass: 296.0157999
• SMILES: c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])NN.OP(=O)(O)O
• Canonical SMILES: OP(=O)(O)O.NNc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]
• InChI: InChI=1S/C6H6N4O4.H3O4P/c7-8-5-2-1-4(9(11)12)3-6(5)10(13)14;1-5(2,3)4/h1-3,8H,7H2;(H3,1,2,3,4)
• InChIKey: RYSWHUOYGUCXQB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2,4-dinitrophenyl)hydrazine; phosphoric acid
• IUPAC Traditional name: 2,4-dinitrophenylhydrazine; phosphoric acid
• Synonyms: 2,4-Dinitrophenylhydrazine Phosphoric acid solution; 2,4-二硝基苯肼磷酸 溶液

Database IDs

• CAS Number: 125038-14-4
• MDL Number: MFCD01863021
• Beilstein Number: 6258433
• PubChem SID: 162252544; 24866295
• PubChem CID: 16212719

CALCULATED PROPERTIES

• Acid pKa: 12.44973
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): 1.8387378
• LogD (pH = 7.4): 1.8818111
• Log P: 1.8948568
• Molar Refractivity: 50.4141 cm^3
• Polarizability: 16.839235 Å^3
• Polar Surface Area: 129.69 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 30 °C; 86 °F
• Density: 1.35 g/mL at 20 °C

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 2924
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3
• Risk Statements: 10-34
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS02; GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H226-H314
• GHS Precautionary statements: P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2924 3/PG 3

Product Information

• Concentration: ~0.2 M (~4%)
• Grade: for derivatization (of aldehydes and ketones); purum
• Impurities: 2,4-dinitrophenylhydrazine; ethanol; phosphoric acid
• Empirical Formula (Hill Notation): C6H6N4O4

DETAILS

Sigma Aldrich - 42215

Other Notes
Reagent for derivatizing aldehydes and ketones, replacement for the explosive solid1
Packaging
250 mL in glass bottle