disodium 4-amino-3-[2-(4-{4-[2-(1-amino-4-sulfonatonaphthalen-2-yl)diazen-1-yl]phenyl}phenyl)diazen-1-yl]naphthalene-1-sulfonate

• ChemBase ID: 102899
• Molecular Formular: C32H22N6Na2O6S2
• Molecular Mass: 696.66322
• Monoisotopic Mass: 696.08376302
• SMILES: [Na+].[Na+].Nc1c2ccccc2c(cc1/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1cc(c2ccccc2c1N)S(=O)(=O)[O-])S(=O)(=O)[O-]
• Canonical SMILES: Nc1c(/N=N/c2ccc(cc2)c2ccc(cc2)/N=N/c2cc(c3c(c2N)cccc3)S(=O)(=O)[O-])cc(c2c1cccc2)S(=O)(=O)[O-].[Na+].[Na+]
• InChI: InChI=1S/C32H24N6O6S2.2Na/c33-31-25-7-3-1-5-23(25)29(45(39,40)41)17-27(31)37-35-21-13-9-19(10-14-21)20-11-15-22(16-12-20)36-38-28-18-30(46(42,43)44)24-6-2-4-8-26(24)32(28)34;;/h1-18H,33-34H2,(H,39,40,41)(H,42,43,44);;/q;2*+1/p-2
• InChIKey: IQFVPQOLBLOTPF-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: disodium 4-amino-3-[2-(4-{4-[2-(1-amino-4-sulfonatonaphthalen-2-yl)diazen-1-yl]phenyl}phenyl)diazen-1-yl]naphthalene-1-sulfonate; disodium 4-amino-3-[(E)-2-(4-{4-[(E)-2-(1-amino-4-sulfonatonaphthalen-2-yl)diazen-1-yl]phenyl}phenyl)diazen-1-yl]naphthalene-1-sulfonate
• IUPAC Traditional name: dipotassium 4-amino-3-[2-(4-{4-[2-(1-amino-4-sulfonatonaphthalen-2-yl)diazen-1-yl]phenyl}phenyl)diazen-1-yl]naphthalene-1-sulfonate; disodium 4-amino-3-[2-(4-{4-[2-(1-amino-4-sulfonatonaphthalen-2-yl)diazen-1-yl]phenyl}phenyl)diazen-1-yl]naphthalene-1-sulfonate; disodium 4-amino-3-[(E)-2-(4-{4-[(E)-2-(1-amino-4-sulfonatonaphthalen-2-yl)diazen-1-yl]phenyl}phenyl)diazen-1-yl]naphthalene-1-sulfonate
• Synonyms: Cotton Red; Benzo Congo Red; Direct Red 28; C.I. 22120; Sodium Diphenyldiazo-bis(alpha-NAPH-Thylaminesulfonate); CONGO RED; Congo Red 4B; Cosmos Red; Cotton Red B; Cotton Red C; Direct Red R; Direct Red Y; Congo Red; Direct Red 28; Congo Red, indicator grade; 刚果红 4B; 棉红 B; 棉红 C; 煮大红; 直接红 28; 直接红 R; 直接红 Y; 刚果红; 刚果红,指示剂级别

Database IDs

• CAS Number: 573-58-0
• EC Number: 209-358-4
• MDL Number: MFCD00004028
• Beilstein Number: 3894858
• Merck Index: 142498
• PubChem SID: 162090562
• PubChem CID: 11313
• CHEMBL: 429694
• Chemspider ID: 10838
• MeSH Name: Congo+red
• Unique Ingredient Identifier: 3U05FHG59S
• Wikipedia Title: Congo_red
• Color Index Number: 22120

CALCULATED PROPERTIES

• Acid pKa: -4.14197
• H Acceptors: 12
• H Donor: 2
• LogD (pH = 5.5): 2.3623931
• LogD (pH = 7.4): 2.3623762
• Log P: 3.5718572
• Molar Refractivity: 181.135 cm^3
• Polarizability: 69.99312 Å^3
• Polar Surface Area: 215.88 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: Powder
• Melting Point: >360 °C(lit.); >360°C
• Absorption Wavelength: λmax 497 nm

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: QK1400000
• European Hazard Symbols: Toxic (T)
• German water hazard class: 3
• Risk Statements: 45-63; R:45-63
• Safety Statements: 53-45; S:45-53
• TSCA Listed: 是
• GHS Pictograms: GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H350-H361; H350-H361d
• GHS Precautionary statements: P201-P281-P308 + P313; P281-P201-P202-P308+P313-P405-P501A
• 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; Eyeshields, Gloves, type P2 (EN 143) respirator cartridges

Product Information

• Purity: ≥97.0% (HPLC); 95+%; Dye content ≈80%; Dye Content ~55%; Dye Content ~85%
• Grade: analytical standard; certified by the Biological Stain Commission; for microscopy (Bact., Bot., Hist.); indicator (pH 3.0-5.2); JIS special grade; Reag. Ph. Eur.
• Compostion: Dye content, 85%
• pH Range: 3.0 - 5.0, blue to red
• Empirical Formula (Hill Notation): C32H22N6Na2O6S2

DETAILS

MP Biomedicals - 02150711

High Purity Biological Stain
Dye Content: ~ 85%
Suitable for staining cytoplasm, erythrocytes and collagen^1 . Useful probe for conformational studies of nucleotide-binding enzymes^2 .

MP Biomedicals - 05214189

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02105099

C.I. 22120
Dye Content: ~ 55%
Absorption indicator for halide and thiocyanate determinations.
Indicator: pH 3.0 (blue) to pH 5.0 (red)

Sigma Aldrich - 860956

Packaging
5, 25 g in glass bottle

REFERENCES

• Biological Stains , 9th ed. : 147, Williams and Wilkins Co., Baltimore, MD, 1977.
• Biochemistry , 18 : 5197 (1979).