chempirical

Congo red

C32H22N6Na2O6S2CAS 573-58-0696.66 g/mol

Open in Covalent MOL file
NH2NNNNSO−OOH2NSO−OONa+Na+
AzoPrimary amineSulfonic acid

Properties

Molecular formula
C32H22N6Na2O6S2
Molar mass
696.66 g/mol
Exact mass
696.0838 Da
Melting point
above 360 °C
logP
7.39Crippen estimate
Polar surface area
210.2 Ų
H-bond donors / acceptors
4 / 10
Rotatable bonds
7

Identifiers

CAS number
573-58-0
SMILES
Nc1c(N=Nc2ccc(-c3ccc(N=Nc4cc(S([O-])(=O)=O)c5ccccc5c4N)cc3)cc2)cc(S([O-])(=O)=O)c2ccccc12.[Na+].[Na+]
InChIKey
ZADMRLXZHUPGBF-UHFFFAOYSA-N
InChI
InChI=1S/C32H24N6O6S2.2Na/c33-31-25-7-3-1-5-23(25)29(45(39,40)41)17-27(31)37-35-21-13-9-19(10-14-21)20-11-15-22(16-12-20)36-38-28-18-30(46(42,43)44)24-6-2-4-8-26(24)32(28)34;;/h1-18H,33-34H2,(H,39,40,41)(H,42,43,44);;

Weigh it out

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

Names and synonyms

51 names · show all
  • 1-Naphthalenesulfonic acid, 3,3′-[[1,1′-biphenyl]-4,4′-diylbis(2,1-diazenediyl)]bis[4-amino-, sodium salt (1:2)
  • C.I. Direct Red 28, disodium salt
  • 1-Naphthalenesulfonic acid, 3,3′-[[1,1′-biphenyl]-4,4′-diylbis(azo)]bis[4-amino-, disodium salt
  • C.I. 22120
  • Atlantic congo red
  • Atul congo red
  • Azocard red congo
  • Benzo congo red
  • Brasilamina congo 4B
  • Congo red L
  • Congo red N
  • Congo red 4B
  • Congo red CR
  • Congo red H
  • Congo red R
  • Congo red RS
  • Congo red M
  • Congo red W
  • Congo red 4BX
  • Cotton red L
  • Cotton red 4BC
  • Diacotton congo red
  • Direct red C
  • Direct red K
  • Direct red 28
  • Direct red DC-CF
  • Erie congo 4B
  • Cotton red 5B
  • Hispamin congo 4B
  • Kayaku congo red
  • Mitsui congo red
  • Peeramine congo red
  • Sugai congo red
  • Tertrodirect red C
  • Trisulfon congo red
  • Vondacel red CL
  • C.I. Direct red 28
  • Congo Red sodium salt
  • Congo red WS
  • Haemomedical
  • Haemonorm
  • Hemorrhagyl
  • Solucongo
  • Red K (dye)
  • Congo red K
  • Direct congo red
  • Congo red TS
  • Direct red R
  • Congo red disodium salt
  • Direct scarlet 4B
  • Congo red 4BS

Work with Congo red

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

Azorubine3567-69-951 % similar Direct black 381937-37-749 % similar Scarlet gn4548-53-248 % similar Sodium naphthionate130-13-246 % similar Acid orange 20523-44-445 % similar Evan'S blue314-13-644 % similar Disodium 1,5-naphthalenedisulfonate1655-29-443 % similar Direct blue 62602-46-243 % similar

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

Elsewhere

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