chempirical

Nitrazine yellow

C16H8N4Na2O11S2CAS 5423-07-4542.36 g/mol

Open in Covalent MOL file
O−N+ONNHOSO−OOSO−OON+O−ONa+Na+
AzoNitroPhenolSulfonic acid

Properties

Molecular formula
C16H8N4Na2O11S2
Molar mass
542.36 g/mol
Exact mass
541.9426 Da
logP
2.51Crippen estimate
Polar surface area
240.0 Ų
H-bond donors / acceptors
3 / 11
Rotatable bonds
6

Identifiers

CAS number
5423-07-4
SMILES
[O-][N+](=O)c1ccc(N=Nc2c(O)c3ccc(S([O-])(=O)=O)cc3cc2S([O-])(=O)=O)c([N+]([O-])=O)c1.[Na+].[Na+]
InChIKey
KVIOOSGZVRFYSG-UHFFFAOYSA-N
InChI
InChI=1S/C16H10N4O11S2.2Na/c21-16-11-3-2-10(32(26,27)28)5-8(11)6-14(33(29,30)31)15(16)18-17-12-4-1-9(19(22)23)7-13(12)20(24)25;;/h1-7,21H,(H,26,27,28)(H,29,30,31);;

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

7 names
  • 2,7-Naphthalenedisulfonic acid, 3-[2-(2,4-dinitrophenyl)diazenyl]-4-hydroxy-, sodium salt (1:2)
  • 2,7-Naphthalenedisulfonic acid, 3-[(2,4-dinitrophenyl)azo]-4-hydroxy-, disodium salt
  • C.I. 14890
  • Delta paper
  • Nitrazol yellow
  • Phenaphthazine
  • Nitrazine paper

Work with Nitrazine yellow

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4,5-Dihydroxynaphthalene-3-(4-nitrophenylazo)-2,7-disulfonic acid disodium salt548-80-159 % similar Eriochrome black T1787-61-756 % similar Ponceau 3R3564-09-854 % similar Amaranth (dye)915-67-354 % similar Ponceau S6226-79-554 % similar Amido black 10B1064-48-852 % similar Nitroso R525-05-350 % similar Direct blue 714399-55-749 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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