1-(2,4-dinitrophenyl)-2-(2-methylprop-2-en-1-ylidene)hydrazine

• ChemBase ID: 137488
• Molecular Formular: C10H10N4O4
• Molecular Mass: 250.2108
• Monoisotopic Mass: 250.07020482
• SMILES: CC(=C)/C=N/Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]
• Canonical SMILES: CC(=C)/C=N/Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]
• InChI: InChI=1S/C10H10N4O4/c1-7(2)6-11-12-9-4-3-8(13(15)16)5-10(9)14(17)18/h3-6,12H,1H2,2H3
• InChIKey: TUBWWZMXYOKKNG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2,4-dinitrophenyl)-2-(2-methylprop-2-en-1-ylidene)hydrazine
• IUPAC Traditional name: 1-(2,4-dinitrophenyl)-2-(2-methylprop-2-en-1-ylidene)hydrazine
• Synonyms: Methacrolein-2,4-dinitrophenylhydrazone; Methacrolein-2,4-dinitrophenylhydrazone; Methacrolein-2,4-DNPH; 甲基丙烯醛-2,4-二硝基苯腙; 甲基丙烯醛-2,4-二硝基苯腙; 甲基丙烯醛-2,4-DNPH

Database IDs

• CAS Number: 5077-73-6
• MDL Number: MFCD00209595
• PubChem SID: 162231750; 24866879; 24867936
• PubChem CID: 9561198

CALCULATED PROPERTIES

• Acid pKa: 13.189276
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 3.3967617
• LogD (pH = 7.4): 3.4098847
• Log P: 3.4147146
• Molar Refractivity: 67.1102 cm^3
• Polarizability: 23.15954 Å^3
• Polar Surface Area: 116.03 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 204-206 °C (dec.)(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• 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

Product Information

• Purity: 99%
• Grade: analytical standard; environmental standard
• Packaging: ampule of 100 mg
• Feature: standard type calibration
• Linear Formula: H2C=C(CH3)CH=NNHC6H3(NO2)2