CAS 7143-21-7|β-NAPHTHOL VIOLET|disodium 3-hydroxy-4-[2-(4-nitrophenyl)diazen-1-yl]naphthalene-2,7-disulfonate|dipotassium 3-hydroxy-4-[2-(4-nitrophenyl)diazen-1-yl]naphthalene-2,7-disulfonate|...

General Information

Structure

Molecular Formula

C₁₆H₉N₃Na₂O₉S₂

Molecular Mass

497.3669

Exact Mass

496.95755945

Charge

InChI

InChI=1S/C16H11N3O9S2.2Na/c20-16-14(30(26,27)28)8-9-7-12(29(23,24)25)5-6-13(9)15(16)18-17-10-1-3-11(4-2-10)19(21)22;;/h1-8,20H,(H,23,24,25)(H,26,27,28);;/q;2*+1/p-2

InChIKey

YTTDMCWAOBZSJR-UHFFFAOYSA-L

Canonic Smiles

Oc1c(/N=N/c2ccc(cc2)[N+](=O)[O-])c2ccc(cc2cc1S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

Isomeric Smiles

[Na+].[Na+].Oc1c(/N=N/c2ccc(cc2)[N+](=O)[O-])c2c(cc(cc2)S(=O)(=O)[O-])cc1S(=O)(=O)[O-]

Calculated Properties

JChem

Acid pKa

-3.145297

H Acceptors

H Donor

LogD (pH = 5.5)

-0.73601884

LogD (pH = 7.4)

-0.7415755

Log P

-0.3671224

Molar Refractivity

104.1302

Polarizability

40.754787

Polar Surface Area

202.49

Rotatable Bonds

Lipinski's Rule of Five

false

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

β-NAPHTHOL VIOLETbeta-Naphthol Violetβ-萘酚紫

IUPAC Traditional name

dipotassium 3-hydroxy-4-[2-(4-nitrophenyl)diazen-1-yl]naphthalene-2,7-disulfonate disodium 3-hydroxy-4-[2-(4-nitrophenyl)diazen-1-yl]naphthalene-2,7-disulfonate

IUPAC name

disodium 3-hydroxy-4-[2-(4-nitrophenyl)diazen-1-yl]naphthalene-2,7-disulfonate

Names and Identifiers

Registration numbers

EC Number

CAS Number

PubChem CID

PubChem SID