CAS 1934-21-0|TARTRAZINE|Acid Yellow 23|C.I. 19140|trisodium 5-oxo-1-(4-sulfonatophenyl)-4-[2-(4-sulfonatophenyl)diazen-1-yl]-4,5-dihydro-1H-pyrazole-3-carboxylate|tripotassium 5-oxo-1-(4-sulfonatop...

General Information

Structure

Molecular Formula

C₁₆H₉N₄Na₃O₉S₂

Molecular Mass

534.36337

Exact Mass

533.95040273

Charge

InChI

InChI=1S/C16H12N4O9S2.3Na/c21-15-13(18-17-9-1-5-11(6-2-9)30(24,25)26)14(16(22)23)19-20(15)10-3-7-12(8-4-10)31(27,28)29;;;/h1-8,13H,(H,22,23)(H,24,25,26)(H,27,28,29);;;/q;3*+1/p-3

InChIKey

UJMBCXLDXJUMFB-UHFFFAOYSA-K

Canonic Smiles

[O-]C(=O)C1=NN(C(=O)C1/N=N/c1ccc(cc1)S(=O)(=O)[O-])c1ccc(cc1)S(=O)(=O)[O-].[Na+].[Na+].[Na+]

Isomeric Smiles

[Na+].[Na+].[Na+].[O-]C(=O)C1=NN(c2ccc(cc2)S(=O)(=O)[O-])C(=O)C1/N=N/c1ccc(cc1)S(=O)(=O)[O-]

Calculated Properties

JChem

Acid pKa

-2.9824858

H Acceptors

H Donor

LogD (pH = 5.5)

-6.128068

LogD (pH = 7.4)

-6.339953

Log P

-2.296357

Molar Refractivity

112.7882

Polarizability

39.96159

Polar Surface Area

211.92

Rotatable Bonds

Lipinski's Rule of Five

false

Data Source

Names and Identifiers

Synonyms

TARTRAZINEAcid Yellow 23C.I. 19140酸性黄 23Tartrazine酒石黄

IUPAC name

trisodium 5-oxo-1-(4-sulfonatophenyl)-4-[2-(4-sulfonatophenyl)diazen-1-yl]-4,5-dihydro-1H-pyrazole-3-carboxylate trisodium 5-oxo-1-(4-sulfonatophenyl)-4-[(E)-2-(4-sulfonatophenyl)diazen-1-yl]-4,5-dihydro-1H-pyrazole-3-carboxylate

IUPAC Traditional name

tripotassium 5-oxo-1-(4-sulfonatophenyl)-4-[2-(4-sulfonatophenyl)diazen-1-yl]-4H-pyrazole-3-carboxylate trisodium 5-oxo-1-(4-sulfonatophenyl)-4-[(E)-2-(4-sulfonatophenyl)diazen-1-yl]-4H-pyrazole-3-carboxylate trisodium 5-oxo-1-(4-sulfonatophenyl)-4-[2-(4-sulfonatophenyl)diazen-1-yl]-4H-pyrazole-3-carboxylate

Names and Identifiers

Registration numbers

EC Number

CAS Number

Beilstein Number

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