2-({2-[(2-hydroxyphenyl)imino]ethylidene}amino)phenol

• ChemBase ID: 107399
• Molecular Formular: C14H12N2O2
• Molecular Mass: 240.25728
• Monoisotopic Mass: 240.08987763
• SMILES: Oc1ccccc1/N=C/C=N/c1ccccc1O
• Canonical SMILES: Oc1ccccc1/N=C/C=N/c1ccccc1O
• InChI: InChI=1S/C14H12N2O2/c17-13-7-3-1-5-11(13)15-9-10-16-12-6-2-4-8-14(12)18/h1-10,17-18H
• InChIKey: FZKAPSZEPRQQGK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-({2-[(2-hydroxyphenyl)imino]ethylidene}amino)phenol
• IUPAC Traditional name: 2-({2-[(2-hydroxyphenyl)imino]ethylidene}amino)phenol
• Synonyms: GBHA; 2,2′-(Ethanediylidenedinitrilo)diphenol; Calcium red; Glyoxal-bis(2-hydroxyanil); DI(2-HYDROXYPHENYLIMINO)ETHANE; 乙二醛缩双(邻氨基酚); 钙红; 乙二醛双(2-羟基苯胺)

Database IDs

• CAS Number: 1149-16-2
• EC Number: 214-560-0
• MDL Number: MFCD00002183
• Beilstein Number: 2808815
• PubChem SID: 162106033; 24859907
• PubChem CID: 5356911

CALCULATED PROPERTIES

• Acid pKa: 7.9611588
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 3.7112563
• LogD (pH = 7.4): 3.6018488
• Log P: 3.7127879
• Molar Refractivity: 74.0144 cm^3
• Polarizability: 26.22966 Å^3
• Polar Surface Area: 65.18 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 203-211 °C(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: ≥95.0% (HPLC); ≥97.0% (from N)
• Grade: indicator for metal titration
• Suitability: passes test for suitable for metal definition
• Ignition Residue: ≤0.1% (as SO4)
• Quality: for spectrophotometric det. of Ca, Sc, U(VI)
• Empirical Formula (Hill Notation): C14H12N2O2

DETAILS

MP Biomedicals - 05203543

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 33255

General description
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