chempirical

Acid blue 45

C14H8N2Na2O10S2CAS 2861-02-1474.32 g/mol

Open in Covalent MOL file
NH2SO−OOHOOH2NSO−OOOHONa+Na+
KetonePhenolPrimary amineSulfonic acid

Properties

Molecular formula
C14H8N2Na2O10S2
Molar mass
474.32 g/mol
Exact mass
473.9416 Da
logP
-1.23Crippen estimate
Polar surface area
235.4 Ų
H-bond donors / acceptors
6 / 10
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
2861-02-1
SMILES
Nc1cc(S([O-])(=O)=O)c(O)c2C(=O)c3c(N)cc(S([O-])(=O)=O)c(O)c3C(=O)c12.[Na+].[Na+]
InChI

The InChI we hold for this record describes the parent acid and the metal separately rather than the salt above, so it is not shown here.

Weigh it out

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

Names and synonyms

68 names · show all
  • Alizarine paper blue BP
  • 2,6-Anthracenedisulfonic acid, 4,8-diamino-9,10-dihydro-1,5-dihydroxy-9,10-dioxo-, sodium salt (1:2)
  • 2,6-Anthracenedisulfonic acid, 4,8-diamino-9,10-dihydro-1,5-dihydroxy-9,10-dioxo-, disodium salt
  • 2,6-Anthraquinonedisulfonic acid, 4,8-diamino-1,5-dihydroxy-, disodium salt
  • C.I. 63010
  • Acid alizarine sapphire B
  • Acid leather blue CB
  • Acilan sapphirol B
  • Airedale blue B
  • Alizarine blue BV
  • Alizarine blue MB
  • Alizarine blue SAP-CF
  • Alizarine blue SAPR-CF
  • Alizarine blue SAP special CF
  • Alizarine brilliant blue G
  • Alizarine brilliant blue 2BS
  • Alizarine light blue B
  • Alizarine light blue BN
  • Alizarine saphirol B
  • Alizarine sapphire
  • Alizarine sapphire BLN
  • Alizarine sapphire BN
  • Anthraquinone blue B
  • Anthraquinone blue BN
  • Anthraquinone blue BP
  • Bucacid blue BL
  • Calcocid alizarine blue SAPB
  • C.I. Acid blue 45
  • Eloxone blue RL
  • Erio cyanine S
  • Fast bond blue GDS
  • Fenazo light blue
  • Kiton fast blue CB
  • Mitsui alizarine saphirol B
  • Oxanal fast blue CB
  • Quinizol blue BP
  • Solway blue BN
  • Tertracid light blue B
  • Vondacid light blue BG
  • Vondacid light blue BN
  • Ext D and C blue no. 4
  • Sodium 4,8-diamino-1,5-dihydroxyanthraquinone-2,6-disulfonate
  • Disodium 4,8-diamino-1,5-dihydroxyanthraquinone-2,6-disulfonate
  • 1,5-Dihydroxy-4,8-diaminoanthraquinone-2,6-disulfonic acid, disodium salt
  • Alizarin sapphirol B
  • Sandolan blue E-BL
  • Egacid blue B
  • Lissamine blue B
  • Sandolan blue E-BLI
  • Erio fast cyanine S conc
  • Alizarine blue GS
  • Dyacid blue GL
  • Simacid blue 24911
  • Best acid brilliant blue BS
  • Lissamine blue BN
  • Triacid light blue B
  • Lerui acid blue B
  • Egacid blue BG
  • Naphthazine brilliant blue 2BS
  • Lissamine blue BM
  • Dycosacid blue B
  • Vicoacid blue 45
  • Suracid blue BGL
  • Acid light blue B
  • Multacid blue B
  • Nylosan blue E-BL 200
  • Acid blue B
  • Acid blue B (chinese)

Work with Acid blue 45

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

4,8-Dihydroxy-1,5-diaminoanthraquinone-3-sulfonic acid2150-60-981 % similar Alizarin red S130-22-353 % similar Tiron (chemical)149-45-147 % similar Nuclear fast red6409-77-446 % similar 8-Aminopyrene-1,3,6-trisulfonic acid trisodium salt196504-57-145 % similar Sodium 2,4-diaminobenzenesulfonate3177-22-845 % similar Benzophenone 976656-36-545 % similar Sodium 3,5-dichloro-2-hydroxybenzenesulfonate54970-72-844 % similar

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

Elsewhere

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