disodium 3-[2-(2,4-dinitrophenyl)diazen-1-yl]-4-hydroxynaphthalene-2,7-disulfonate

• ChemBase ID: 104417
• Molecular Formular: C16H8N4Na2O11S2
• Molecular Mass: 542.36446
• Monoisotopic Mass: 541.94263766
• SMILES: [Na+].[Na+].Oc1c2ccc(cc2cc(c1/N=N/c1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-]
• Canonical SMILES: Oc1c2ccc(cc2cc(c1/N=N/c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]
• InChI: InChI=1S/C16H10N4O11S2.2Na/c21-16-11-3-2-10(32(26,27)28)5-8(11)6-14(33(29,30)31)15(16)18-17-12-4-1-9(19(22)23)7-13(12)20(24)25;;/h1-7,21H,(H,26,27,28)(H,29,30,31);;/q;2*+1/p-2
• InChIKey: XBLIFEQTVVSTIM-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: disodium 3-[2-(2,4-dinitrophenyl)diazen-1-yl]-4-hydroxynaphthalene-2,7-disulfonate
• IUPAC Traditional name: disodium 3-[2-(2,4-dinitrophenyl)diazen-1-yl]-4-hydroxynaphthalene-2,7-disulfonate; dipotassium 3-[2-(2,4-dinitrophenyl)diazen-1-yl]-4-hydroxynaphthalene-2,7-disulfonate
• Synonyms: 2-(2,4-Dinitrophenylazo)-1-hydroxynaphthalene-3,6-disulfonic acid disodium salt; 2-(2,4-Dinitrophenylazo)naphthol-3,6-disulfonic acid disodium salt; Nitrazol Yellow; Nitrazine Yellow; NITRAZINE YELLOW

Database IDs

• CAS Number: 5423-07-4
• EC Number: 226-549-8
• MDL Number: MFCD00003938
• PubChem SID: 162091537; 24851961
• PubChem CID: 5483244
• Color Index Number: 14890

CALCULATED PROPERTIES

• Acid pKa: -3.1960182
• H Acceptors: 13
• H Donor: 1
• LogD (pH = 5.5): -1.4459784
• LogD (pH = 7.4): -1.4471358
• Log P: -1.151407
• Molar Refractivity: 112.4591 cm^3
• Polarizability: 42.809074 Å^3
• Polar Surface Area: 250.99 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Absorption Wavelength: λmax 586 nm

Safety Information

• Storage Condition: 2-8°C
• German water hazard class: 3
• Risk Statements: 5
• Safety Statements: 15-22-24/25
• Personal Protective Equipment: Eyeshields, Gloves; Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Storage Temperature: 2-8°C

Product Information

• Purity: Dye Content ~80%
• Grade: for microscopy (Hist.); indicator (pH 6.0-7.0); indicator grade
• Compostion: Dye content, ~85%; Dye content, 85%
• pH Range: 6.0 - 7.2, yellow to blue
• Empirical Formula (Hill Notation): C16H8N4Na2O11S2

DETAILS

MP Biomedicals - 02155843

C.I. 14890 (2-[2,4-Dinitrophenylazo]naphthol-3,6-disulfonic acid, disodium salt; Nitrazol Yellow) Dye content: ~80%

Sigma Aldrich - 200182

Packaging
1, 5 g in glass bottle