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

• ChemBase ID: 106174
• Molecular Formular: C17H14N2O2
• Molecular Mass: 278.30526
• Monoisotopic Mass: 278.1055277
• SMILES: COc1ccccc1/N=N/c1c(O)ccc2ccccc12
• Canonical SMILES: COc1ccccc1/N=N/c1c(O)ccc2c1cccc2
• InChI: InChI=1S/C17H14N2O2/c1-21-16-9-5-4-8-14(16)18-19-17-13-7-3-2-6-12(13)10-11-15(17)20/h2-11,20H,1H3
• InChIKey: ALLOLPOYFRLCCX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[2-(2-methoxyphenyl)diazen-1-yl]naphthalen-2-ol; 1-[(E)-2-(2-methoxyphenyl)diazen-1-yl]naphthalen-2-ol
• IUPAC Traditional name: 1-[2-(2-methoxyphenyl)diazen-1-yl]naphthalen-2-ol; solvent red 1
• Synonyms: 1-(2-Methoxyphenylazo)-2-naphthol; Oil Red 113; Sudan red G; Sudan R; Brilliant Fast Scarlet R; Ceres Red G; 1-[(2-Methoxyphenyl)azo]-2-naphthol; C.I. 12150; Fat Red BG; Fat Soluble Red S; Oil Pink; Oil Red; Orient Oil Red OG; Solvent Red 1; SUDAN RED G; SUDAN R; 1-((2-Methoxyphenyl)diazenyl)naphthalen-2-ol; 1-[2-(2-Methoxyphenyl)diazenyl]-2-naphthalenol; 1-[(2-Methoxyphenyl)azo]-2-naphthalenol; Sudan Red G; Anisole-2-azo-.beta.-naphthol; Silotras Red TG; Somalia Red PG; Sudan Red 290; 1-(2-甲氧基苯偶氮)-2-萘酚; 油红 113; 苏丹红 G

Database IDs

• CAS Number: 1229-55-6
• EC Number: 214-968-9
• MDL Number: MFCD00046377
• Beilstein Number: 1843558
• PubChem SID: 162087670; 24850466
• PubChem CID: 5910713
• Chemspider ID: 10441568
• Wikipedia Title: Sudan_Red_G
• Color Index Number: 12150

CALCULATED PROPERTIES

• Acid pKa: 11.831061
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 4.907379
• LogD (pH = 7.4): 4.907364
• Log P: 4.9073796
• Molar Refractivity: 85.2713 cm^3
• Polarizability: 32.22471 Å^3
• Polar Surface Area: 54.18 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 225 °C

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: GE5844740
• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 2
• Risk Statements: R:36/37/38-40
• Safety Statements: S:36/37/39-45
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥96.0% (HPLC); 95+%
• Grade: analytical standard, for food analysis
• Quality: reagent for Ph. Eur.
• Empirical Formula (Hill Notation): C17H14N2O2

DETAILS

Toronto Research Chemicals - S688930

Sudan dyes and para red in food.

REFERENCES

• Cornet, V., et al.: J. Agricult. Food Chem., 54, 639 (2006)
• Ertas, E., et al.: Food Chem., 105, 756 (2006)