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

• ChemBase ID: 156661
• Molecular Formular: C7H6N4O4
• Molecular Mass: 210.14694
• Monoisotopic Mass: 210.03890469
• SMILES: C=NNc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]
• Canonical SMILES: C=NNc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]
• InChI: InChI=1S/C7H6N4O4/c1-8-9-6-3-2-5(10(12)13)4-7(6)11(14)15/h2-4,9H,1H2
• InChIKey: UEQLSLWCHGLSML-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2,4-dinitrophenyl)-2-methylidenehydrazine
• IUPAC Traditional name: 1-(2,4-dinitrophenyl)-2-methylidenehydrazine
• Synonyms: Formaldehyde-2,4-dinitrophenylhydrazone; Formaldehyde-2,4-dinitrophenylhydrazone; Formaldehyde-2,4-DNPH; 甲醛-2,4-二硝基苯腙; 甲醛-2,4-二硝基苯腙; 甲醛-2,4-DNPH

Database IDs

• CAS Number: 1081-15-8
• MDL Number: MFCD00191364
• Beilstein Number: 750330
• PubChem SID: 162250798; 24867923; 24866874; 24892228
• PubChem CID: 70655

CALCULATED PROPERTIES

• Acid pKa: 13.653486
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 2.1681166
• LogD (pH = 7.4): 2.1750479
• Log P: 2.1778576
• Molar Refractivity: 52.6941 cm^3
• Polarizability: 17.973467 Å^3
• Polar Surface Area: 116.03 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 153-156 °C(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, 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: H2C=NNHC6H3(NO2)2

DETAILS

Sigma Aldrich - BCR546

Legal Information
BCR is a registered trademark of European Commission

Sigma Aldrich - 429627

Packaging
20 mg in glass bottle