2-({2-[(2-hydroxyphenyl)methylidene]hydrazin-1-ylidene}methyl)phenol

• ChemBase ID: 111184
• Molecular Formular: C14H12N2O2
• Molecular Mass: 240.25728
• Monoisotopic Mass: 240.08987763
• SMILES: Oc1ccccc1/C=N/N=C/c1ccccc1O
• Canonical SMILES: Oc1ccccc1/C=N/N=C/c1ccccc1O
• InChI: InChI=1S/C14H12N2O2/c17-13-7-3-1-5-11(13)9-15-16-10-12-6-2-4-8-14(12)18/h1-10,17-18H
• InChIKey: STOVYWBRBMYHPC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-({2-[(2-hydroxyphenyl)methylidene]hydrazin-1-ylidene}methyl)phenol; 2-[(1E)-[(E)-2-[(2-hydroxyphenyl)methylidene]hydrazin-1-ylidene]methyl]phenol
• IUPAC Traditional name: 2-({2-[(2-hydroxyphenyl)methylidene]hydrazin-1-ylidene}methyl)phenol; 2-[(1E)-[(E)-2-[(2-hydroxyphenyl)methylidene]hydrazin-1-ylidene]methyl]phenol
• Synonyms: 2-Hydroxybenzaldehyde azine; Salicylaldehyde azine; SALICYLALDAZINE; 2-Hydroxybenzaldehyde 2-[(2-Hydroxyphenyl)methylene]hydrazone; 2,2'-Dihydroxybenzalazine; Bis[2-hydroxybenzaldehyde] Hydrazone; N,N'-Bis(salicylidene)hydrazine; NSC 695048; NSC 864; Salazine; Salicylalazine; Salicylaldazine; Salicylazine; o-Hydroxybenzaldazine; Salicylaldehyde Azine; 水杨醛吖嗪

Database IDs

• CAS Number: 959-36-4
• EC Number: 213-500-0
• MDL Number: MFCD00043496
• Beilstein Number: 1913597
• PubChem SID: 162103029
• PubChem CID: 5376968

CALCULATED PROPERTIES

• Acid pKa: 8.372578
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.8325493
• LogD (pH = 7.4): 2.788364
• Log P: 2.8331277
• Molar Refractivity: 71.76 cm^3
• Polarizability: 26.24472 Å^3
• Polar Surface Area: 65.18 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Yellow Solid
• Melting Point: 213°C; 216-220°C; 218-220°C

Safety Information

• Storage Condition: Refrigerator
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 97%

DETAILS

Toronto Research Chemicals - S087500

Hydrazone derivative with anthelminthic activity.

REFERENCES

• Molodykh, Zh.V., et al.: Khimiko-Farmatsevticheskii Zhurnal, 11, 81 (1977)