1-[2-(4-nitrophenyl)diazen-1-yl]naphthalen-2-ol

• ChemBase ID: 128817
• Molecular Formular: C16H11N3O3
• Molecular Mass: 293.27684
• Monoisotopic Mass: 293.08004123
• SMILES: O=[N+]([O-])c1ccc(cc1)/N=N/c1c2ccccc2ccc1O
• Canonical SMILES: Oc1ccc2c(c1/N=N/c1ccc(cc1)[N+](=O)[O-])cccc2
• InChI: InChI=1S/C16H11N3O3/c20-15-10-5-11-3-1-2-4-14(11)16(15)18-17-12-6-8-13(9-7-12)19(21)22/h1-10,20H/b18-17+
• InChIKey: WOTPFVNWMLFMFW-ISLYRVAYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[2-(4-nitrophenyl)diazen-1-yl]naphthalen-2-ol; 1-[(E)-2-(4-nitrophenyl)diazen-1-yl]naphthalen-2-ol
• IUPAC Traditional name: 1-[2-(4-nitrophenyl)diazen-1-yl]naphthalen-2-ol; para red
• Synonyms: 1-(p-Nitrophenylazo)-2-naphthol; 1-(4-Nitrophenylazo)-2-naphthol; Para Red; Pararot; 1-[(4-Nitrophenyl)azo]-2-naphthalenol; 1-((4-nitrophenyl)azo)-2-naphthol; 1-[(p-nitrophenyl)azo]-2-naphthalenol; 1-[(p-nitrophenyl)azo]-2-naphthol; paranitraniline rel; Pigment Red 1, C.I. 12070, Recolite Para Red l; Carnelio Para Red BS; Para Red; Para Red; C.I. 12070; 1-(4-Nitrophenylazo)-2-naphthol; 1-(4-硝基苯基偶氮)-2-萘酚; 1-(对硝基苯基偶氮)-2-萘酚; 对位红; 对位红; 1-(4-硝基苯基偶氮)-2-萘酚

Database IDs

• CAS Number: 6410-10-2
• EC Number: 229-093-8
• MDL Number: MFCD00003908
• Beilstein Number: 680469
• PubChem SID: 162223121; 24846529
• PubChem CID: 5360175
• Chemspider ID: 13544963
• Wikipedia Title: Para_Red

CALCULATED PROPERTIES

• Acid pKa: 11.335164
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 5.0050344
• LogD (pH = 7.4): 5.004985
• Log P: 5.005035
• Molar Refractivity: 85.1286 cm^3
• Polarizability: 31.526375 Å^3
• Polar Surface Area: 88.09 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: Red solid
• Melting Point: 248 - 252 °C; 248-252 °C(lit.); 248-252°C
• Absorption Wavelength: λmax 488 nm

Safety Information

• RTECS: QL4510000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38; R36/37/38
• Safety Statements: 26; 26-37-60; S26, S36
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥97.0% (HPLC)
• Grade: analytical standard, for food analysis
• Compostion: Dye content, 95%
• Linear Formula: O2NC6H4N=NC10H6OH

DETAILS

Sigma Aldrich - 100994

Packaging
25 g in glass bottle
Application
Para Red (100994) is used as a fat soluble chemical dye and food additive. It is a banned colorant and a number of analytical techniques have been developed to detect it in food. Para Red may be used to make standards for analysis.

REFERENCES

• Biological stain.