1-(2,4-dinitrophenyl)-2-[(2-methylphenyl)methylidene]hydrazine

• ChemBase ID: 147224
• Molecular Formular: C14H12N4O4
• Molecular Mass: 300.26948
• Monoisotopic Mass: 300.08585488
• SMILES: Cc1ccccc1/C=N/Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]
• Canonical SMILES: [O-][N+](=O)c1cc(ccc1N/N=C/c1ccccc1C)[N+](=O)[O-]
• InChI: InChI=1S/C14H12N4O4/c1-10-4-2-3-5-11(10)9-15-16-13-7-6-12(17(19)20)8-14(13)18(21)22/h2-9,16H,1H3
• InChIKey: QUIFNJPMGQCNMH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2,4-dinitrophenyl)-2-[(2-methylphenyl)methylidene]hydrazine
• IUPAC Traditional name: 1-(2,4-dinitrophenyl)-2-[(2-methylphenyl)methylidene]hydrazine
• Synonyms: o-Tolualdehyde 2,4-dinitrophenylhydrazone; o-Tolualdehyde 2,4-dinitrophenylhydrazone; o-Tolualdehyde-2,4-DNPH; 2,4-二硝基苯腙邻甲苯甲醛; 2,4-二硝基苯腙邻甲苯甲醛; o-甲苯甲醛-2,4-DNPH

Database IDs

• CAS Number: 1773-44-0
• MDL Number: MFCD00191584
• PubChem SID: 162241415; 24867985; 24866882
• PubChem CID: 9555686

CALCULATED PROPERTIES

• Acid pKa: 12.862441
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 4.8284044
• LogD (pH = 7.4): 4.8395686
• Log P: 4.8440027
• Molar Refractivity: 84.0703 cm^3
• Polarizability: 29.164156 Å^3
• Polar Surface Area: 116.03 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 195-198 °C(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 22-37/38-41; 37/38-41
• Safety Statements: 26-39
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger; Warning
• GHS Hazard statements: H302-H315-H318-H335; H302-H315-H335
• GHS Precautionary statements: P261; P261-P280-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 99%
• Grade: analytical standard; environmental standard
• Packaging: ampule of 100 mg
• Feature: standard type calibration
• Linear Formula: CH3C6H4CH=NNHC6H3(NO2)2

DETAILS

Sigma Aldrich - 429708

Packaging
20 mg in glass bottle