CAS 1937-37-7|dipotassium 4-amino-3-[2-(4-{4-[2-(2,4-diaminophenyl)diazen-1-yl]phenyl}phenyl)diazen-1-yl]-5-hydroxy-6-[(E)-2-phenyldiazen-1-yl]naphthalene-2,7-disulfonate|ERIE BLACK|disodium 4-amino...

General Information

Structure

Molecular Formula

C₃₄H₂₅N₉Na₂O₇S₂

Molecular Mass

781.72794

Exact Mass

781.11137475

Charge

InChI

InChI=1S/C34H27N9O7S2.2Na/c35-22-10-15-27(26(36)18-22)41-38-24-11-6-19(7-12-24)20-8-13-25(14-9-20)40-42-32-28(51(45,46)47)16-21-17-29(52(48,49)50)33(34(44)30(21)31(32)37)43-39-23-4-2-1-3-5-23;;/h1-18,44H,35-37H2,(H,45,46,47)(H,48,49,50);;/q;2*+1/p-2/b41-38?,42-40?,43-39+;;

InChIKey

XRPLBRIHZGVJIC-FCRDMDBBSA-L

Canonic Smiles

Nc1ccc(c(c1)N)/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1c(N)c2c(cc1S(=O)(=O)[O-])cc(c(c2O)/N=N/c1ccccc1)S(=O)(=O)[O-].[Na+].[Na+]

Isomeric Smiles

[Na+].[Na+].Nc1ccc(/N=N/c2ccc(cc2)c2ccc(cc2)/N=N/c2c(N)c3c(cc2S(=O)(=O)[O-])cc(c(/N=N/c2ccccc2)c3O)S(=O)(=O)[O-])c(N)c1

Calculated Properties

JChem

Acid pKa

-2.8697045

H Acceptors

H Donor

LogD (pH = 5.5)

3.0805554

LogD (pH = 7.4)

2.6554675

Log P

5.953135

Molar Refractivity

205.6851

Polarizability

75.50836

Polar Surface Area

286.85

Rotatable Bonds

Lipinski's Rule of Five

false

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC Traditional name

dipotassium 4-amino-3-[2-(4-{4-[2-(2,4-diaminophenyl)diazen-1-yl]phenyl}phenyl)diazen-1-yl]-5-hydroxy-6-[(E)-2-phenyldiazen-1-yl]naphthalene-2,7-disulfonate disodium 4-amino-3-[(E)-2-(4-{4-[(E)-2-(2,4-diaminophenyl)diazen-1-yl]phenyl}phenyl)diazen-1-yl]-5-hydroxy-6-[(E)-2-phenyldiazen-1-yl]naphthalene-2,7-disulfonate disodium 4-amino-3-[2-(4-{4-[(E)-2-(2,4-diaminophenyl)diazen-1-yl]phenyl}phenyl)diazen-1-yl]-5-hydroxy-6-(2-phenyldiazen-1-yl)naphthalene-2,7-disulfonate

Synonyms

ERIE BLACKChlorazole Black EDirect Black 38Chlorazol Black氯唑黑EChlorazol Black EAzo BlackC.I. 30235

IUPAC name

disodium 4-amino-3-[2-(4-{4-[2-(2,4-diaminophenyl)diazen-1-yl]phenyl}phenyl)diazen-1-yl]-5-hydroxy-6-[(E)-2-phenyldiazen-1-yl]naphthalene-2,7-disulfonate disodium 4-amino-3-[(E)-2-(4-{4-[(E)-2-(2,4-diaminophenyl)diazen-1-yl]phenyl}phenyl)diazen-1-yl]-5-hydroxy-6-[(E)-2-phenyldiazen-1-yl]naphthalene-2,7-disulfonate disodium 4-amino-3-[2-(4-{4-[(E)-2-(2,4-diaminophenyl)diazen-1-yl]phenyl}phenyl)diazen-1-yl]-5-hydroxy-6-(2-phenyldiazen-1-yl)naphthalene-2,7-disulfonate

Names and Identifiers

Registration numbers

CAS Number

MDL Number

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PubChem SID

EC Number