4-[(E)-2-(4-nitrophenyl)diazen-1-yl]benzene-1,3-diol

• ChemBase ID: 103424
• Molecular Formular: C12H9N3O4
• Molecular Mass: 259.21756
• Monoisotopic Mass: 259.05930578
• SMILES: Oc1cc(O)c(cc1)/N=N/c1ccc(cc1)[N+](=O)[O-]
• Canonical SMILES: Oc1ccc(c(c1)O)/N=N/c1ccc(cc1)[N+](=O)[O-]
• InChI: InChI=1S/C12H9N3O4/c16-10-5-6-11(12(17)7-10)14-13-8-1-3-9(4-2-8)15(18)19/h1-7,16-17H
• InChIKey: NGPGYVQZGRJHFJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(E)-2-(4-nitrophenyl)diazen-1-yl]benzene-1,3-diol; 4-[2-(4-nitrophenyl)diazen-1-yl]benzene-1,3-diol
• IUPAC Traditional name: azo violet; 4-[2-(4-nitrophenyl)diazen-1-yl]benzene-1,3-diol
• Synonyms: AZO VIOLET; 2,4-Dihydroxy-4'-nitroazobenzene; Magneson; 4-(4-Nitrophenylazo)resorcinol; Azoviolet; 4-(p-NITROPHENYLAZO)-RESORCINOL; p-Nitrophenylazoresorcinol; 4-Nitrophenylazoresorcinol; Magneson I; 4-(4-Nitrophenylazo)resorcinol; 4-(4-硝基苯偶氮)间苯二酚

Database IDs

• CAS Number: 74-39-5
• EC Number: 200-808-5
• MDL Number: MFCD00007310
• Beilstein Number: 674709
• Merck Index: 145695
• PubChem SID: 24847188; 162090382
• PubChem CID: 5359267
• Chemspider ID: 11341372
• Wikipedia Title: Azo_violet

CALCULATED PROPERTIES

• Acid pKa: 8.292735
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): 3.711298
• LogD (pH = 7.4): 3.660044
• Log P: 3.711993
• Molar Refractivity: 70.6593 cm^3
• Polarizability: 24.71001 Å^3
• Polar Surface Area: 108.32 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: 1 g/L H₂O; 4 g/L Ethanol
• Apperance: dark red to brown crystalline powder
• Melting Point: 185°C; 195-200 °C (dec.)(lit.); ca 185°C dec.
• Flash Point: 261.7 °C
• Density: 1.45 g/cm^3
• Absorption Wavelength: λmax 432 nm

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: VH2810000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38; 36/38
• Safety Statements: 26-36; 26-37
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319; H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A; P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 95%; Dye Content ~90%
• Compostion: Dye content, 90%
• Linear Formula: O2NC6H4N=NC6H3-1,3-(OH)2

DETAILS

MP Biomedicals - 02151759

Red crystals
Dye content: ~ 90%

Sigma Aldrich - 114669

Packaging
25, 100 g in glass bottle

REFERENCES

• Reagent for Mg.