2,2-diphenyl-1-(2,4,6-trinitrophenyl)hydrazin-1-yl

• ChemBase ID: 127191
• Molecular Formular: C18H12N5O6
• Molecular Mass: 394.31778
• Monoisotopic Mass: 394.07875813
• SMILES: c1ccc(cc1)N(c1ccccc1)[N]c1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
• Canonical SMILES: [O-][N+](=O)c1cc(cc(c1[N]N(c1ccccc1)c1ccccc1)[N+](=O)[O-])[N+](=O)[O-]
• InChI: InChI=1S/C18H12N5O6/c24-21(25)15-11-16(22(26)27)18(17(12-15)23(28)29)19-20(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12H
• InChIKey: HHEAADYXPMHMCT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2-diphenyl-1-(2,4,6-trinitrophenyl)hydrazin-1-yl
• IUPAC Traditional name: DPPH
• Synonyms: 2,2-diphenyl-1-picrylhydrazyl; 1,1-diphenyl-2-picrylhydrazyl radical; 2,2-diphenyl-1-(2,4,6-trinitrophenyl)hydrazyl; Diphenylpicrylhydrazyl; DPPH; DPPH; 2,2-Diphenyl-1-picrylhydrazyl; 2,2-Diphenyl-1-picrylhydrazyl (free radical); 2,2-联苯基-1-苦基肼基; 1,1-二苯基-2-苦肼基自由基; 2,2-二苯基-1-苦基肼; 2,2-联苯基-1-苦基肼基 (自由基)

Database IDs

• CAS Number: 1898-66-4
• EC Number: 217-591-8
• MDL Number: MFCD00007231
• Beilstein Number: 1846081
• Merck Index: 143330
• PubChem SID: 162221513; 24894254
• PubChem CID: 74358; 2735032
• Chemspider ID: 2016757
• Wikipedia Title: DPPH

CALCULATED PROPERTIES

• Acid pKa: 13.837699
• H Acceptors: 8
• H Donor: 0
• LogD (pH = 5.5): 5.2395
• LogD (pH = 7.4): 5.2395
• Log P: 5.2395
• Molar Refractivity: 113.2135 cm^3
• Polarizability: 37.179214 Å^3
• Polar Surface Area: 141.89 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: alcohol, acetone; insoluble in water
• Apperance: Black to green powder, purple in solution; green; Powder
• Melting Point: ~135 °C (dec.)(lit.); 135°C (decomposes)
• Density: 1.4 g/cm^3
• Absorption Wavelength: λmax 528 nm

Safety Information

• European Hazard Symbols: Highly toxic (T+); Harmful (Xn)
• UN Number: UN2811
• German water hazard class: 1
• Hazard Class: 6.1
• Packing Group: II
• Risk Statements: 28-36/37/38; 42/43
• Safety Statements: 20-26-28-36/37-45-60; 22-36/37-45; R
• TSCA Listed: 是
• GHS Pictograms: GHS06; GHS08
• GHS Signal Word: Danger
• NFPA704:
  

  1

  0

  0
• GHS Hazard statements: H300-H315-H319-H335; H317-H334
• GHS Precautionary statements: P261-P280-P342 + P311; P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥85% (CHN); 95%
• Grade: technical
• Ignition Residue: ≤5%
• Impurities: <10 ppm benzene
• Empirical Formula (Hill Notation): C18H12N5O6

DETAILS

Sigma Aldrich - D9132

Frequently Asked Questions
Live Chat and Frequently Asked Questions are available for this Product.
Other Notes
自由基
包装
1, 5 g in glass bottle

Sigma Aldrich - 43180

Other Notes
Stable radical; reagent for the quantitative determination of aliphatic thiols by indirect spetrophotometry1