chempirical

Reactive yellow 2

C25H15Cl3N9Na3O10S3CAS 50662-99-2872.95 g/mol

Open in Covalent MOL file
NNClSO−OOClONNNNNHSO−OONClNHSO−OONa+Na+Na+
AmideAryl halideAzoHydrazoneLactamSecondary amineSulfonic acid

Properties

Molecular formula
C25H15Cl3N9Na3O10S3
Molar mass
872.95 g/mol
Exact mass
870.8863 Da
logP
3.21Crippen estimate
Polar surface area
286.5 Ų
H-bond donors / acceptors
5 / 14
Rotatable bonds
9

Identifiers

CAS number
50662-99-2
SMILES
CC1=NN(c2cc(Cl)c(S([O-])(=O)=O)cc2Cl)C(=O)C1N=Nc1cc(N=c2nc(Nc3ccc(S([O-])(=O)=O)cc3)nc(Cl)[nH]2)ccc1S([O-])(=O)=O.[Na+].[Na+].[Na+]
InChIKey
VCNXEWLLRRIDNQ-UHFFFAOYSA-N
InChI
InChI=1S/C25H18Cl3N9O10S3.3Na/c1-11-21(22(38)37(36-11)18-9-16(27)20(10-15(18)26)50(45,46)47)35-34-17-8-13(4-7-19(17)49(42,43)44)30-25-32-23(28)31-24(33-25)29-12-2-5-14(6-3-12)48(39,40)41;;;/h2-10,21H,1H3,(H,39,40,41)(H,42,43,44)(H,45,46,47)(H2,29,30,31,32,33);;;

Weigh it out

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

Names and synonyms

23 names · show all
  • Benzenesulfonic acid, 4-[[4-chloro-6-[(4-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-[2-[1-(2,5-dichloro-4-sulfophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]diazenyl]-, sodium salt (1:3)
  • Benzenesulfonic acid, 4-[[4-chloro-6-[(4-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-[[1-(2,5-dichloro-4-sulfophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]-, trisodium salt
  • Ostazin brilliant yellow H 5G
  • C.I. Reactive yellow 2
  • Procion brilliant yellow H 5G
  • Procion yellow H 5G
  • Cibacron brilliant yellow 3G-P
  • Sumifix brilliant yellow H 3G
  • Ostazin yellow H 5G
  • Xiron brilliant yellow 3G-HD
  • Helaktyn yellow D 5GN
  • Kayacion yellow P 5G
  • Cibacron yellow 3G
  • Kayacion yellow P 5G liquid 20
  • Kayacion yellow P 5G liquid 33
  • Reactive yellow M 3GP
  • Procion yellow P 5GN
  • C.I. 18972
  • Reactive yellow K 6G
  • Reactive flavine yellow K 6G
  • Yellow P 5G
  • Procion golden yellow H 5G
  • KP cion yellow P-V

Work with Reactive yellow 2

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

Yellow 2G6359-98-465 % similar Pigment yellow 191129423-54-745 % similar Acid yellow 116359-82-644 % similar Fluorescent brightener 22016470-24-940 % similar Tartrazine1934-21-035 % similar Pigment orange 133520-72-734 % similar Pigment orange 3415793-73-433 % similar Pigment yellow 10012225-21-731 % similar

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

Elsewhere

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