1-(2-{2-methyl-4-[2-(2-methylphenyl)diazen-1-yl]phenyl}diazen-1-yl)(2H6)naphthalen-2-ol

• ChemBase ID: 156374
• Molecular Formular: C24H20N4O
• Molecular Mass: 380.4418
• Monoisotopic Mass: 380.16371128
• SMILES: c1ccc2c(c1)ccc(c2/N=N/c1ccc(cc1C)/N=N/c1ccccc1C)O
• Canonical SMILES: Cc1cc(ccc1/N=N/c1c(O)ccc2c1cccc2)/N=N/c1ccccc1C
• InChI: InChI=1S/C24H20N4O/c1-16-7-3-6-10-21(16)26-25-19-12-13-22(17(2)15-19)27-28-24-20-9-5-4-8-18(20)11-14-23(24)29/h3-15,29H,1-2H3
• InChIKey: RCTGMCJBQGBLKT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-{2-methyl-4-[2-(2-methylphenyl)diazen-1-yl]phenyl}diazen-1-yl)(^2H₆)naphthalen-2-ol; 1-[(E)-2-{2-methyl-4-[(E)-2-(2-methylphenyl)diazen-1-yl]phenyl}diazen-1-yl](^2H₆)naphthalen-2-ol
• IUPAC Traditional name: 1-(2-{2-methyl-4-[2-(2-methylphenyl)diazen-1-yl]phenyl}diazen-1-yl)(^2H₆)naphthalen-2-ol; 1-[(E)-2-{2-methyl-4-[(E)-2-(2-methylphenyl)diazen-1-yl]phenyl}diazen-1-yl](^2H₆)naphthalen-2-ol
• Synonyms: 1-[2-Methyl-4-(2-methyl-phenylazo)-phenylazo]-2-naphthol-d6 solution; Sudan IV-d6 solution; 1-[2-Methyl-4-(2-methyl-phenylazo)phenylazo]-2-naphthol-d6; Sudan IV-d6; 1-[2-[2-methyl-4-[2-(2-methylphenyl)diazenyl]phenyl]diazenyl]-2-naphthalenol-d6; 1-(2'-Methyl-4'-(2''-methylphenylazo)phenylazo)-2-naphthol-d6; 1-[4-(o-Tolylazo)-o-tolylazo]-2-naphthol-d6; Biebrich Scarlet Red-d6; Oil Red S-d6; Scarlet Red-d6; Sudan IV-d6; 1-[2-甲基-4-(2-甲基-苯偶氮基)-苯偶氮基]-2-萘酚-d6 溶液; 苏丹 IV-d6 溶液; 1-[2-甲基-4-(2-甲基-苯偶氮基)苯偶氮基]-2-萘酚-d6; 苏丹 IV-d6

Database IDs

• CAS Number: 1014689-18-9
• EC Number: 200-835-2
• MDL Number: MFCD08460518
• PubChem SID: 24860974; 162250512; 24860971
• PubChem CID: 71312304

CALCULATED PROPERTIES

• Acid pKa: 11.335163
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 8.497783
• LogD (pH = 7.4): 8.497737
• Log P: 8.497787
• Molar Refractivity: 123.2095 cm^3
• Polarizability: 44.52365 Å^3
• Polar Surface Area: 69.67 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Flash Point: 2 °C; 35.6 °F
• Mass Shift: M+6

Safety Information

• European Hazard Symbols: Flammable (F); Harmful (Xn)
• UN Number: 1648
• German water hazard class: 2; 3
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11-20/21/22-36
• Safety Statements: 16-36/37
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H302-H312-H319-H332
• GHS Precautionary statements: P210-P280-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter; Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• RID/ADR: UN 1648 3/PG 2

Product Information

• Concentration: 100 ng/μL in acetonitrile
• Grade: analytical standard, for environmental analysis
• Empirical Formula (Hill Notation): C24D6H14N4O

DETAILS

Toronto Research Chemicals - S688922

Labelled Sudan IV. It has been used to promote wound healing. Biological stain.

REFERENCES

• Findlay, J., et al.: J. Pharm. Biomed., Anal., 21, 1249 (2000)
• Han, D., et al.: J. Agric. Food Chem., 55, 6424 (2000)
• Jiang, Z;., et al.: J. Environ. Anal. Chem., 88, 649 (2000)