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

• ChemBase ID: 158682
• Molecular Formular: C10H10N4O4
• Molecular Mass: 250.2108
• Monoisotopic Mass: 250.07020482
• SMILES: C/C=C/C=N/Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]
• Canonical SMILES: C/C=C/C=N/Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]
• InChI: InChI=1S/C10H10N4O4/c1-2-3-6-11-12-9-5-4-8(13(15)16)7-10(9)14(17)18/h2-7,12H,1H3
• InChIKey: GFUVNGJSSAEZHW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(but-2-en-1-ylidene)-2-(2,4-dinitrophenyl)hydrazine
• IUPAC Traditional name: 1-(but-2-en-1-ylidene)-2-(2,4-dinitrophenyl)hydrazine
• Synonyms: Crotonaldehyde-2,4-dinitrophenylhydrazone; Crotonaldehyde-2,4-dinitrophenylhydrazone; Crotonaldehyde-2,4-DNPH; 丁烯醛(巴豆醛)2,4-二硝基苯肼; 丁烯醛(巴豆醛)2,4-二硝基苯肼; 丁烯醛-2,4-DNPH

Database IDs

• CAS Number: 1527-96-4
• MDL Number: MFCD00191336
• PubChem SID: 162252818; 24867886; 24866878
• PubChem CID: 9601349

CALCULATED PROPERTIES

• Acid pKa: 13.330085
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 3.3856425
• LogD (pH = 7.4): 3.4005673
• Log P: 3.405799
• Molar Refractivity: 68.4266 cm^3
• Polarizability: 23.159542 Å^3
• Polar Surface Area: 116.03 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 192-195 °C(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38-43; 43
• Safety Statements: 26-36/37; 36/37
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H317-H319-H335; H317
• GHS Precautionary statements: P261-P280-P305 + P351 + P338; P280
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves

Product Information

• Purity: 99%
• Grade: analytical standard; analytical standard, for environmental analysis
• Packaging: ampule of 100 mg
• Feature: standard type calibration
• Linear Formula: CH3CH=CHCH=NNHC6H3(NO2)2

DETAILS

Sigma Aldrich - 429651

Packaging
20 mg in glass bottle