chempirical

4,5-Dihydroxynaphthalene-3-(4-nitrophenylazo)-2,7-disulfonic acid disodium salt

C16H9N3Na2O10S2CAS 548-80-1513.36 g/mol

Open in Covalent MOL file
O−N+ONNHOHOSO−OOSO−OONa+Na+
AzoNitroPhenolSulfonic acid

Properties

Molecular formula
C16H9N3Na2O10S2
Molar mass
513.36 g/mol
Exact mass
512.9525 Da
logP
2.31Crippen estimate
Polar surface area
217.1 Ų
H-bond donors / acceptors
4 / 10
Rotatable bonds
5

Identifiers

CAS number
548-80-1
SMILES
[O-][N+](=O)c1ccc(N=Nc2c(O)c3c(O)cc(S([O-])(=O)=O)cc3cc2S([O-])(=O)=O)cc1.[Na+].[Na+]
InChIKey
GEBWHFRBVHTEBK-UHFFFAOYSA-N
InChI
InChI=1S/C16H11N3O10S2.2Na/c20-12-7-11(30(24,25)26)5-8-6-13(31(27,28)29)15(16(21)14(8)12)18-17-9-1-3-10(4-2-9)19(22)23;;/h1-7,20-21H,(H,24,25,26)(H,27,28,29);;

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Names and synonyms

14 names · show all
  • C.I. 16575
  • Chromotrope 2B
  • Chromotrope red 4B
  • Naphtocard fast red 3B
  • p-Nitrobenzeneazochromotropic acid sodium salt
  • C.I. Mordant black 93
  • Cr-2B
  • Poly-chromotrope 2B
  • PCR 2B
  • 2,7-Naphthalenedisulfonic acid, 4,5-dihydroxy-3-[2-(4-nitrophenyl)diazenyl]-, sodium salt (1:2)
  • C.I. Acid red 176
  • C.I. Acid Red 176, disodium salt
  • 2,7-Naphthalenedisulfonic acid, 4,5-dihydroxy-3-[(4-nitrophenyl)azo]-, disodium salt
  • 2,7-Naphthalenedisulfonic acid, 4,5-dihydroxy-3-(p-nitrophenylazo)-, disodium salt

Work with 4,5-Dihydroxynaphthalene-3-(4-nitrophenylazo)-2,7-disulfonic acid disodium salt

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

Amido black 10B1064-48-870 % similar Direct blue 62602-46-261 % similar Chrome dark blue1058-92-061 % similar Nitrazine yellow5423-07-459 % similar Red 2G3734-67-653 % similar Diaminogene velour black B2429-73-453 % similar Acid red 735413-75-252 % similar Acid black NT99576-15-552 % similar

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

Elsewhere

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