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C16H9ClN2Na2O9S2CAS 1058-92-0518.80 g/mol

Open in Covalent MOL file
O−SOOOHOHNNClHOSO−OONa+Na+
Aryl halideAzoPhenolSulfonic acid

Properties

Molecular formula
C16H9ClN2Na2O9S2
Molar mass
518.80 g/mol
Exact mass
517.9233 Da
logP
2.76Crippen estimate
Polar surface area
194.2 Ų
H-bond donors / acceptors
5 / 9
Rotatable bonds
4

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
1058-92-0
SMILES
[O-]S(=O)(=O)c1cc(O)c2c(O)c(N=Nc3cc(Cl)ccc3O)c(S([O-])(=O)=O)cc2c1.[Na+].[Na+]
InChIKey
FBMLEMHVQQPBOJ-UHFFFAOYSA-N
InChI
InChI=1S/C16H11ClN2O9S2.2Na/c17-8-1-2-11(20)10(5-8)18-19-15-13(30(26,27)28)4-7-3-9(29(23,24)25)6-12(21)14(7)16(15)22;;/h1-6,20-22H,(H,23,24,25)(H,26,27,28);;

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Names and synonyms

41 names · show all
  • 2,7-Naphthalenedisulfonic acid, 3-[2-(5-chloro-2-hydroxyphenyl)diazenyl]-4,5-dihydroxy-, sodium salt (1:2)
  • C.I. Mordant Blue 13, disodium salt
  • Eriochrome blue SE
  • C.I. Mordant blue 13
  • 2,7-Naphthalenedisulfonic acid, 3-[(5-chloro-2-hydroxyphenyl)azo]-4,5-dihydroxy-, disodium salt
  • C.I. 16680
  • Acid alizarine blue B
  • Acid chrome blue A
  • Acid chrome dark blue
  • Acid chrome navy blue B
  • Alizarine blue B
  • Alizarine chrome blue B
  • Atlantichrome blue B
  • Azochromol blue B
  • Chrome blue BL
  • Chrome fast blue 2B
  • Chrome fast navy blue B
  • Diamond fast blue BL
  • Fast mordant blue B
  • Java chrome fast blue B
  • Magracrom blue A
  • Mitsui chrome fast blue BX
  • Mordant blue B
  • Omega chrome fast blue B
  • Omega chrome fast blue BHA
  • Plasmo corinth
  • Showa fast mordant blue B
  • Sunchromine fast blue MB
  • Symulon fast mordant blue B
  • Tertrochrome blue MB
  • Plasmocorinth B
  • Calcium fast purple
  • Diacromo blue SB
  • Disodium 1,8-dihydroxy-2-(2-hydroxy-5-chlorophenylazo)-3,6-naphthalenedisulfonate
  • Alizarin blue B
  • Mordant blue 13
  • Orbokrom blue BL
  • Erio SE
  • Chrome blue SE
  • Omega chrome fast blue BI
  • Chromium dark blue

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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

Acid chrome blue K3270-25-582 % similar 4,5-Dihydroxynaphthalene-3-(4-nitrophenylazo)-2,7-disulfonic acid disodium salt548-80-161 % similar Sodium 4,5-dihydroxy-3,6-bis[2-(2-sulfophenyl)diazenyl]-2,7-naphthalenedisulfonate (4:1)68504-35-856 % similar Direct blue 152429-74-554 % similar Direct blue 62602-46-253 % similar Trypan blue72-57-153 % similar Red 2G3734-67-648 % similar Ponceau 4R2611-82-748 % similar

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

Elsewhere

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