1-(2-{2,5-dimethyl-4-[2-(2-methylphenyl)diazen-1-yl]phenyl}diazen-1-yl)naphthalen-2-ol

• ChemBase ID: 104452
• Molecular Formular: C25H22N4O
• Molecular Mass: 394.46838
• Monoisotopic Mass: 394.17936134
• SMILES: Cc1c(cccc1)/N=N/c1cc(C)c(cc1C)/N=N/c1c2ccccc2ccc1O
• Canonical SMILES: Cc1cc(/N=N/c2ccccc2C)c(cc1/N=N/c1c(O)ccc2c1cccc2)C
• InChI: InChI=1S/C25H22N4O/c1-16-8-4-7-11-21(16)26-27-22-14-18(3)23(15-17(22)2)28-29-25-20-10-6-5-9-19(20)12-13-24(25)30/h4-15,30H,1-3H3
• InChIKey: NRBKWAQSLYBVSG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-{2,5-dimethyl-4-[2-(2-methylphenyl)diazen-1-yl]phenyl}diazen-1-yl)naphthalen-2-ol
• IUPAC Traditional name: 1-(2-{2,5-dimethyl-4-[2-(2-methylphenyl)diazen-1-yl]phenyl}diazen-1-yl)naphthalen-2-ol
• Synonyms: Oil Red EGN; C.I. 26120; Solvent Red 26; OIL RED EGN

Database IDs

• CAS Number: 4477-79-6
• EC Number: 224-757-3
• MDL Number: MFCD00009688
• PubChem SID: 24854021; 162091828
• PubChem CID: 6030747
• Color Index Number: 26120

CALCULATED PROPERTIES

• Acid pKa: 11.335133
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 9.011204
• LogD (pH = 7.4): 9.011159
• Log P: 9.011209
• Molar Refractivity: 128.2507 cm^3
• Polarizability: 46.2624 Å^3
• Polar Surface Area: 69.67 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 121-130°C; 130 °C (dec.)(lit.)
• Absorption Wavelength: λmax 521 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
• 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

• Empirical Formula (Hill Notation): C25H22N4O

DETAILS

MP Biomedicals - 02155983

C.l. 26120 (Solvent Red 26)

Sigma Aldrich - 234117

Packaging
25 g in glass bottle