(2,4-dinitrophenyl)hydrazine

• ChemBase ID: 84813
• Molecular Formular: C6H6N4O4
• Molecular Mass: 198.13624
• Monoisotopic Mass: 198.03890469
• SMILES: [N+](=O)(c1cc(ccc1NN)[N+](=O)[O-])[O-]
• Canonical SMILES: NNc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]
• InChI: InChI=1S/C6H6N4O4/c7-8-5-2-1-4(9(11)12)3-6(5)10(13)14/h1-3,8H,7H2
• InChIKey: HORQAOAYAYGIBM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2,4-dinitrophenyl)hydrazine
• IUPAC Traditional name: 2,4-dinitrophenylhydrazine
• Synonyms: 2,4-Dinitrophenylhydrazine hydrochloric acid solution; 2,4-Dinitrophenylhydrazine; DNPH; 2,4-DINITROPHENYL HYDRAZINE; 2,4-DNPH; 2,4-DNP; Brady's reagent; 2,4-Dinitrophenylhydrazine; (2,4-Dinitrophenyl)hydrazine; 1-(2,4-dinitrophenyl)hydrazine; 2,4-二硝基苯肼盐酸盐 溶液; 2,4-二硝基苯肼

Database IDs

• CAS Number: 119-26-6
• EC Number: 204-309-3
• MDL Number: MFCD00007578
• Beilstein Number: 615586
• PubChem SID: 24893586; 24866416; 24850962; 162071929
• PubChem CID: 3772977
• CHEMBL: 352799
• Chemspider ID: 3001507
• KEGG ID: C11283
• Wikipedia Title: 2,4-Dinitrophenylhydrazine

CALCULATED PROPERTIES

• Acid pKa: 11.929561
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): 1.8605298
• LogD (pH = 7.4): 1.8943948
• Log P: 1.8948568
• Molar Refractivity: 48.4057 cm^3
• Polarizability: 16.839235 Å^3
• Polar Surface Area: 124.33 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: 50% sulfuric acid: soluble10 mg/mL, clear, colorless; Slight in water
• Apperance: Red or orange powder
• Melting Point: 197-200 °C(lit.); 197-200°C; 198 - 202 °C dec.
• Flash Point: 14 °C; 57.2 °F
• Density: 0.843 g/mL at 20 °C
• Refractive Index: n20/D 1.374

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: MV3325000
• European Hazard Symbols: Explosive (E); Flammable (F); Harmful (Xn)
• UN Number: 1325; 2924; 3380
• German water hazard class: 2; 3
• Hazard Class: 3; 4.1
• Packing Group: 1; 2; III
• Australian Hazchem: 1Z
• Risk Statements: 11; 1-11-22; R:1-2-22-43
• Safety Statements: 16; 35; S:16-46-48
• EU Classification: F1
• EU Hazard Identification Number: 4.1B
• Emergency Response Guidebook(ERG) Number: 133
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Danger
• Main Hazard: Flammable, possible carcinogen
• GHS Hazard statements: H225; H228-H302
• GHS Precautionary statements: P210
• Personal Protective Equipment: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges; Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2924 3/PG 2; UN 3380 4.1/PG 1
• Supplemental Hazard Statements: Explosive when dry.
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥99.0% (HPLC); 95+%; 97%
• Concentration: ~0.005 M in ethanol
• Grade: for thin layer chromatography; JIS special grade; puriss. p.a.; reagent grade
• Suitability: in accordance for application
• Contains: ~50% water as stabilizer; 33% water (minimum); 50% water (minimum)
• Quality: moistened with water
• Linear Formula: (O2N)2C6H3NHNH2
• Empirical Formula (Hill Notation): C6H6N4O4

DETAILS

MP Biomedicals - 02150122

Crystalline
Moist solid containing more than 30% water.

Sigma Aldrich - D199303

Application
Reagent for the determination of aldehydes1 and ketones.2,3 Also employed in cyclocondensations to pyrazoles.4
Packaging
25, 100, 500 g in glass bottle
500G contains total wet product weight of ~485G. Variance is due to addition of water to meet DOT requirements.

Sigma Aldrich - 42210

Other Notes
For the determination of α-keto groups after the transamination of α-amino groups in proteins with glyoxylic acid1; Reagent for the colorimetric determination of aldehydes and ketones2; and ketosteroids3; Reagent for UV-visible absorption derivatization of carbonyl compounds in liquid chromatography4
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