1-[(E)-2-(pyridin-2-yl)diazen-1-yl]naphthalen-2-ol

• ChemBase ID: 103501
• Molecular Formular: C15H11N3O
• Molecular Mass: 249.26734
• Monoisotopic Mass: 249.09021199
• SMILES: Oc1ccc2ccccc2c1/N=N/c1ncccc1
• Canonical SMILES: Oc1ccc2c(c1/N=N/c1ccccn1)cccc2
• InChI: InChI=1S/C15H11N3O/c19-13-9-8-11-5-1-2-6-12(11)15(13)18-17-14-7-3-4-10-16-14/h1-10,19H
• InChIKey: LLYOXZQVOKALCD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(E)-2-(pyridin-2-yl)diazen-1-yl]naphthalen-2-ol; 1-[2-(pyridin-2-yl)diazen-1-yl]naphthalen-2-ol
• IUPAC Traditional name: 1-[(E)-2-(pyridin-2-yl)diazen-1-yl]naphthalen-2-ol; 1-[2-(pyridin-2-yl)diazen-1-yl]naphthalen-2-ol
• Synonyms: 1-(2-Pyridylazo)-2-naphthol; PAN; 1-(2-PYRIDYLAZO)-2-NAPHTHOL; 1-(2-联氮吡啶)-2-萘酚

Database IDs

• CAS Number: 85-85-8
• EC Number: 201-637-9
• MDL Number: MFCD00004071
• Beilstein Number: 206390
• PubChem SID: 24846530; 162090608; 24860346
• PubChem CID: 5376264

CALCULATED PROPERTIES

• Acid pKa: 11.809133
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 4.441835
• LogD (pH = 7.4): 4.441819
• Log P: 4.441836
• Molar Refractivity: 76.9647 cm^3
• Polarizability: 28.814556 Å^3
• Polar Surface Area: 57.84 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: green to red, upon chelation with metal; orange-red, as an amorphous solid; yellow, when dissolved in organic solvent
• Melting Point: 138-141 °C(lit.); 138-141°C
• Absorption Wavelength: λmax 462 nm

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36; 26-37
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 98%
• Grade: ACS reagent; indicator for metal titration; indicator grade
• Suitability: complies for suitability for complexometry
• Empirical Formula (Hill Notation): C15H11N3O

DETAILS

MP Biomedicals - 02151988

Indicator Grade
Reagent for the spectrophotometric determination of Ni, Co, V, and Zn.

Sigma Aldrich - 101036

Packaging
5, 25 g in glass bottle

REFERENCES

• Indicator for complexometry.
• Reagent for spectrophotometric determination of metals.