disodium 5-acetamido-4-hydroxy-3-(2-phenyldiazen-1-yl)naphthalene-2,7-disulfonate

• ChemBase ID: 103689
• Molecular Formular: C18H13N3Na2O8S2
• Molecular Mass: 509.42066
• Monoisotopic Mass: 508.99394495
• SMILES: [Na+].[Na+].CC(=O)Nc1cc(cc2cc(c(/N=N/c3ccccc3)c(O)c12)S(=O)(=O)[O-])S(=O)(=O)[O-]
• Canonical SMILES: CC(=O)Nc1cc(cc2c1c(O)c(c(c2)S(=O)(=O)[O-])/N=N/c1ccccc1)S(=O)(=O)[O-].[Na+].[Na+]
• InChI: InChI=1S/C18H15N3O8S2.2Na/c1-10(22)19-14-9-13(30(24,25)26)7-11-8-15(31(27,28)29)17(18(23)16(11)14)21-20-12-5-3-2-4-6-12;;/h2-9,23H,1H3,(H,19,22)(H,24,25,26)(H,27,28,29);;/q;2*+1/p-2
• InChIKey: WXLFIFHRGFOVCD-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: disodium 5-acetamido-4-hydroxy-3-(2-phenyldiazen-1-yl)naphthalene-2,7-disulfonate; disodium 5-acetamido-4-hydroxy-3-[(E)-2-phenyldiazen-1-yl]naphthalene-2,7-disulfonate
• IUPAC Traditional name: dipotassium 5-acetamido-4-hydroxy-3-(2-phenyldiazen-1-yl)naphthalene-2,7-disulfonate; disodium 5-acetamido-4-hydroxy-3-(2-phenyldiazen-1-yl)naphthalene-2,7-disulfonate; disodium red 2G
• Synonyms: Acid Red 1; Food Red 10; Azophloxine; AMIDONAPHTHOL RED G; Amido Naphthol Red G; Azophloxine; ACID RED 1; AZOPHLOXINE; Red 2G; Acid Red 1; disodium 5-acetylamino-4-hydroxy-3-(phenylazo)Naphthalene-2,7-disulphonate

Database IDs

• CAS Number: 3734-67-6
• EC Number: 223-098-9
• MDL Number: MFCD00003954
• Beilstein Number: 4121767
• PubChem SID: 24847289; 162090710; 24852649
• PubChem CID: 6507024
• Color Index Number: 18050
• E Number: E128

CALCULATED PROPERTIES

• Acid pKa: -2.886875
• H Acceptors: 10
• H Donor: 2
• LogD (pH = 5.5): -2.0882206
• LogD (pH = 7.4): -2.0883446
• Log P: -1.3880085
• Molar Refractivity: 112.6727 cm^3
• Polarizability: 43.684677 Å^3
• Polar Surface Area: 188.45 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Absorption Wavelength: λmax 506 nm; λmax 532 nm (2nd)

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: QJ6030000
• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥98.0% (HPLC); 97%
• Grade: analytical standard; for microscopy (Hist.)
• Compostion: Dye content, 60%
• Shelf Life: (limited shelf life, expiry date on the label)
• Empirical Formula (Hill Notation): C18H13N3Na2O8S2

DETAILS

MP Biomedicals - 02152606

C.I. 18050
Dye content: ~ 60%

MP Biomedicals - 05209356

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 210633

Packaging
25, 100 g in glass bottle