[2-(hexyloxy)naphthalen-1-yl]({2-methyl-4-[2-(2-methylphenyl)diazen-1-yl]phenyl})diazene

• ChemBase ID: 139143
• Molecular Formular: C30H32N4O
• Molecular Mass: 464.60128
• Monoisotopic Mass: 464.25761166
• SMILES: CCCCCCOc1ccc2ccccc2c1/N=N/c1ccc(cc1C)/N=N/c1ccccc1C
• Canonical SMILES: CCCCCCOc1ccc2c(c1/N=N/c1ccc(cc1C)/N=N/c1ccccc1C)cccc2
• InChI: InChI=1S/C30H32N4O/c1-4-5-6-11-20-35-29-19-16-24-13-8-9-14-26(24)30(29)34-33-28-18-17-25(21-23(28)3)31-32-27-15-10-7-12-22(27)2/h7-10,12-19,21H,4-6,11,20H2,1-3H3
• InChIKey: IFCOQIZNZYKXKM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(hexyloxy)naphthalen-1-yl]({2-methyl-4-[2-(2-methylphenyl)diazen-1-yl]phenyl})diazene
• IUPAC Traditional name: [2-(hexyloxy)naphthalen-1-yl]({2-methyl-4-[2-(2-methylphenyl)diazen-1-yl]phenyl})diazene
• Synonyms: 1-(2-Methyl-4-o-tolylazo-phenylazo)-2-n-hexyloxy-naphthalene; Sudan 408

Database IDs

• CAS Number: 480438-69-5
• MDL Number: MFCD10567072
• PubChem SID: 24880248; 162233391
• PubChem CID: 3407825

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 10.856714
• LogD (pH = 7.4): 10.856718
• Log P: 10.856718
• Molar Refractivity: 150.7674 cm^3
• Polarizability: 55.64912 Å^3
• Polar Surface Area: 58.67 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 55.6-58.2 °C(lit.)
• Absorption Wavelength: λmax 205 nm in ethanol

Safety Information

• European Hazard Symbols: Nature polluting (N); Toxic (T)
• UN Number: 3143
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 2
• Risk Statements: 45-23/24/25-50/53
• Safety Statements: 53-45-60-61
• GHS Pictograms: GHS06; GHS08; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H311-H331-H350-H400
• GHS Precautionary statements: P201-P261-P273-P280-P301 + P310-P311
• Personal Protective Equipment: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 3143 6.1/PG 2

Product Information

• Compostion: Dye content, ~95%
• Empirical Formula (Hill Notation): C30H32N4O