CAS 846-70-8|2,4-DINITRO-α-NAPHTHOL-7-SULFONIC ACID SODIUM SALT|disodium 2,4-dinitro-7-sulfonatonaphthalen-1-olate|dipotassium 2,4-dinitro-7-sulfonatonaphthalen-1-olate|C.I. 10316|Sodium flavi...

General Information

Structure

Molecular Formula

C₁₀H₄N₂Na₂O₈S

Molecular Mass

358.1919

Exact Mass

357.94837466

Charge

InChI

InChI=1S/C10H6N2O8S.2Na/c13-10-7-3-5(21(18,19)20)1-2-6(7)8(11(14)15)4-9(10)12(16)17;;/h1-4,13H,(H,18,19,20);;/q;2*+1/p-2

InChIKey

CTIQLGJVGNGFEW-UHFFFAOYSA-L

Canonic Smiles

[O-][N+](=O)c1cc([N+](=O)[O-])c2c(c1[O-])cc(cc2)S(=O)(=O)[O-].[Na+].[Na+]

Isomeric Smiles

[Na+].[Na+].[O-]c1c2cc(ccc2c(cc1[N+](=O)[O-])[N+](=O)[O-])S(=O)(=O)[O-]

Calculated Properties

JChem

LogD (pH = 7.4)

-2.56

LogD (pH = 5.5)

-1.91

Log P

1.72

Rotatable Bonds

H Donor

H Acceptors

Lipinski's Rule of Five

true

Acid pKa

-2.70

Polar Surface Area

166.54

Polarizability

25.33

Molar Refractivity

77.18

LOG S

-3.99

Data Source

Names and Identifiers

IUPAC name

disodium 2,4-dinitro-7-sulfonatonaphthalen-1-olate

Synonyms

2,4-DINITRO-α-NAPHTHOL-7-SULFONIC ACID SODIUM SALTSodium flavianateNaphthol yellow SC.I. 10316Acid Yellow 1Flavianic acid, sodium saltFood Yellow 1萘酚黄 S2,4-二硝基-1-萘酚-7-磺酸钠盐5,7-Dinitro-8-hydroxy-2-naphthalenesulfonic acid sodium saltFlavianic acid sodium saltNaphthol Yellow S2,4-Dinitro-1-naphthol-7-sulfonic acid sodium salt黄胺酸钠盐8-羟基-5,7-二硝基-2-萘磺酸钠盐酸性黄 15,7-Dinitro-8-hydroxy-2-naphthalenesulfonic acid disodium salt萘酚黄SC.I. Food Yellow 1Ext. D & C yellow no. 7C.I. 103162,4-Dinitro-1-naphthol-7-sulfonic acid, disodium saltacid yellow 1sulfur yellow Sacid yellow SC.I. Acid Yellow 1naphthol yellow S

IUPAC Traditional name

dipotassium 2,4-dinitro-7-sulfonatonaphthalen-1-olate disodium 2,4-dinitro-7-sulfonatonaphthalen-1-olate naphthol yellow S

Names and Identifiers

Registration numbers

CAS Number

846-70-8

Wikipedia Title

Naphthol_yellow_S

PubChem CID

2724063

PubChem SID

16208881824851929252162811