1-[2-(2-methylphenyl)diazen-1-yl]naphthalen-2-ol

• ChemBase ID: 157077
• Molecular Formular: C17H14N2O
• Molecular Mass: 262.30586
• Monoisotopic Mass: 262.11061308
• SMILES: Cc1ccccc1/N=N/c1c2ccccc2ccc1O
• Canonical SMILES: Cc1ccccc1/N=N/c1c(O)ccc2c1cccc2
• InChI: InChI=1S/C17H14N2O/c1-12-6-2-5-9-15(12)18-19-17-14-8-4-3-7-13(14)10-11-16(17)20/h2-11,20H,1H3
• InChIKey: BQFCCCIRTOLPEF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[2-(2-methylphenyl)diazen-1-yl]naphthalen-2-ol
• IUPAC Traditional name: 1-[2-(2-methylphenyl)diazen-1-yl]naphthalen-2-ol
• Synonyms: 1-(o-Tolylazo)-2-naphthol; Orange OT; Solvent Orange 2; Oil Orange SS; Orange OT; 1-(邻甲苯偶氮)-2-萘酚; 橙油 SS; 溶剂橙 2; 橙油 SS; 溶剂橙 2

Database IDs

• CAS Number: 2646-17-5
• EC Number: 220-162-8
• MDL Number: MFCD00059523
• Beilstein Number: 8330630
• PubChem SID: 162251214; 24861272
• PubChem CID: 5835026
• Color Index Number: 12100

CALCULATED PROPERTIES

• Acid pKa: 11.835208
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 5.57847
• LogD (pH = 7.4): 5.5784564
• Log P: 5.578472
• Molar Refractivity: 83.8493 cm^3
• Polarizability: 31.511276 Å^3
• Polar Surface Area: 44.95 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 124-126 °C(lit.)
• Absorption Wavelength: λmax 505 nm

Safety Information

• RTECS: QL5425000
• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 40
• Safety Statements: 36
• GHS Pictograms: GHS08
• GHS Signal Word: Warning
• GHS Hazard statements: H351
• GHS Precautionary statements: P281
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves; Eyeshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges

Product Information

• Purity: ≥98.0% (HPLC)
• Grade: analytical standard
• Compostion: Dye content, 75%
• Linear Formula: CH3C6H4N=NC10H6OH

DETAILS

Sigma Aldrich - 344664

Packaging
1, 5 g in glass bottle