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

• ChemBase ID: 104536
• Molecular Formular: C18H14N2Na2O7S2
• Molecular Mass: 480.4225
• Monoisotopic Mass: 480.00378136
• SMILES: [Na+].[Na+].Cc1cc(C)c(cc1)/N=N/c1c2ccc(cc2cc(c1O)S(=O)(=O)[O-])S(=O)(=O)[O-]
• Canonical SMILES: Cc1ccc(c(c1)C)/N=N/c1c2ccc(cc2cc(c1O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]
• InChI: InChI=1S/C18H16N2O7S2.2Na/c1-10-3-6-15(11(2)7-10)19-20-17-14-5-4-13(28(22,23)24)8-12(14)9-16(18(17)21)29(25,26)27;;/h3-9,21H,1-2H3,(H,22,23,24)(H,25,26,27);;/q;2*+1/p-2
• InChIKey: YJVBLROMQZEFPA-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: disodium 4-[(E)-2-(2,4-dimethylphenyl)diazen-1-yl]-3-hydroxynaphthalene-2,7-disulfonate; disodium 4-[2-(2,4-dimethylphenyl)diazen-1-yl]-3-hydroxynaphthalene-2,7-disulfonate
• IUPAC Traditional name: disodium 4-[(E)-2-(2,4-dimethylphenyl)diazen-1-yl]-3-hydroxynaphthalene-2,7-disulfonate; dipotassium 4-[2-(2,4-dimethylphenyl)diazen-1-yl]-3-hydroxynaphthalene-2,7-disulfonate; disodium 4-[2-(2,4-dimethylphenyl)diazen-1-yl]-3-hydroxynaphthalene-2,7-disulfonate
• Synonyms: Ponceau Xylidine; XYLIDINE RED; C.I. 16150; Xylidene Ponceau 2R; PONCEAU 2R; BRILLIANT PONCEAU G; Acid Red 26; Ponceau 2 R; Xylidine ponceau 2R; Xylidine ponceau; 丽春红 2R; 丽春红 C; 罂粟红 2R; 酸性红 26; 二甲苯胺丽春红

Database IDs

• CAS Number: 3761-53-3
• EC Number: 223-178-3
• MDL Number: MFCD00003897
• Beilstein Number: 5709350
• PubChem SID: 162091669; 24887784; 24898320
• PubChem CID: 6364570
• Color Index Number: 16150

CALCULATED PROPERTIES

• Acid pKa: -2.935511
• H Acceptors: 9
• H Donor: 1
• LogD (pH = 5.5): 0.35089692
• LogD (pH = 7.4): 0.34912288
• Log P: 1.2122793
• Molar Refractivity: 107.8921 cm^3
• Polarizability: 42.260593 Å^3
• Polar Surface Area: 159.35 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: QJ6825000
• European Hazard Symbols: Toxic (T); Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 40; R:45
• Safety Statements: 36; S:28-36/37/39-45-53
• GHS Pictograms: GHS08
• GHS Signal Word: Warning
• GHS Hazard statements: H351
• GHS Precautionary statements: P281
• Personal Protective Equipment: Eyeshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges

Product Information

• Purity: ≥96.0% (HPLC); Dye Content ~60%
• Grade: analytical standard, for food analysis; for microscopy
• Compostion: Dye content, ≥60%
• Empirical Formula (Hill Notation): C18H14N2Na2O7S2

DETAILS

MP Biomedicals - 05219993

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02156334

C.I. 16150
(Acid Red 26;
Xylidine Ponceau 2R)
Dye content: ~ 60%

MP Biomedicals - 05214339

MP Biomedicals Rare Chemical collection

Sigma Aldrich - P2395

包装
25, 50 g in glass bottle