chempirical

C.I. Acid blue 193

C40H23CrN4Na2O10S2CAS 12392-64-2881.74 g/mol

Open in Covalent MOL file
OSOOHO−NNO−OSOO−O−NNO−Cr3+Na+Na+
AzoSulfonic acid

Properties

Molecular formula
C40H23CrN4Na2O10S2
Molar mass
881.74 g/mol
Exact mass
881.0056 Da
logP
1.27Crippen estimate
Polar surface area
253.3 Ų
H-bond donors / acceptors
1 / 13
Rotatable bonds
6

Identifiers

CAS number
12392-64-2
SMILES
O=S(=O)(O)c1cc([O-])c(N=Nc2c([O-])ccc3ccccc23)c2ccccc12.O=S(=O)([O-])c1cc([O-])c(N=Nc2c([O-])ccc3ccccc23)c2ccccc12.[Cr+3].[Na+].[Na+]
InChIKey
LCZPIYCNOWJWPQ-UHFFFAOYSA-I
InChI
InChI=1S/2C20H14N2O5S.Cr.2Na/c2*23-16-10-9-12-5-1-2-6-13(12)19(16)21-22-20-15-8-4-3-7-14(15)18(11-17(20)24)28(25,26)27;;;/h2*1-11,23-24H,(H,25,26,27);;;/q;;+3;2*+1/p-5

Weigh it out

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

Names and synonyms

69 names · show all
  • Chromate(3-), bis[3-(hydroxy-κO)-4-[2-[2-(hydroxy-κO)-1-naphthalenyl]diazenyl-κN1]-1-naphthalenesulfonato(3-)]-, sodium hydrogen (1:2:1)
  • Chromate(3-), bis[3-hydroxy-4-[(2-hydroxy-1-naphthalenyl)azo]-1-naphthalenesulfonato(3-)]-, disodium hydrogen
  • 1-Naphthalenesulfonic acid, 3-hydroxy-4-[(2-hydroxy-1-naphthalenyl)azo]-, chromium complex
  • C.I. 15707
  • C.I. Acid blue 161
  • C.I. 15706
  • Aizen opal blue BH
  • Chromacyl blue R
  • Chrome intra blue 2R
  • Efdolan blue BN
  • Erganil blue BC
  • Palatine fast blue BN
  • Pharmalan navy blue B
  • Pilate fast blue BN
  • Tertroxane blue B
  • Yamada neo fast blue B
  • Acid blue 161
  • Rylan blue TR
  • Luganil blue MRB
  • Gryfalan navy blue RL
  • Acidol dark blue M-TR
  • Orbolan marine blue S-RL
  • Gryfalan garnet RL
  • Neutrilan navy M-BR
  • Lanyl navy blue TW
  • Bemaplex marine blue C-RD
  • Lanasyn blue S-DNL
  • Lanasyn navy S-DNL
  • Dermacid blue MTR
  • Koroset blue R
  • Pacid navy blue RL
  • Acid dark blue MS
  • Stelane navy blue 2SB
  • Eurolana blue SB
  • Ratna acid blue MTR
  • Dinalan dark blue MTR
  • Triamet blue 2R
  • Lederos S 2 blue G
  • Triasolan blue DR
  • Cololan navy blue RL
  • Rylan blue T 2R
  • Desher blue G
  • Navidol dark blue MTR
  • Coriamine fast navy blue S-RL
  • Anadurm blue S-R
  • Cromoxyl blue WB
  • Vopsider dark blue MMTR
  • Dyalan blue S-R
  • Acid blue RTN
  • Airedale fast blue
  • Navitan dark blue MTR
  • Vicoacid navy blue RL
  • Solcorom dark blue PMTR
  • Rathidol dark blue M-TR
  • Borulan navy blue RL
  • Acid blue MTR
  • Acid blue D-JR
  • Magra dark blue MTR
  • Colorosacid blue 193
  • Acid dark blue MTR
  • Kemacid dark blue MTR
  • Roven S 2 blue G
  • Dycosacid complex blue BN
  • Irgalan blue 2R
  • Acid blue 193
  • Neutrilan navy M-BRX
  • Lanasyn navy M-DNL
  • Neutrilan blue M-BR
  • Navy M-BRX

Work with C.I. Acid blue 193

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

C.I. Mordant black 172538-85-457 % similar Pigment red 49:11103-38-449 % similar C.I. Pigment red 53:15160-02-148 % similar Acid red 881658-56-648 % similar C.I. Acid red 9710169-02-546 % similar Hydroxynaphthol blue63451-35-446 % similar Acid orange 7633-96-542 % similar Amaranth (dye)915-67-341 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook