Pigment yellow 191

C17H13CaClN4O7S2CAS 129423-54-7524.96 g/mol

NNSO−OOONNClSO−OOCa2+
AmideAryl halideAzoHydrazoneLactamSulfonic acid

Properties

Molecular formula
C17H13CaClN4O7S2
Molar mass
524.96 g/mol
Exact mass
523.9540 Da
logP
2.64Crippen estimate
Polar surface area
166.1 Ų
H-bond donors / acceptors
2 / 8
Rotatable bonds
5

Hazards

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

Identifiers

CAS number
129423-54-7
SMILES
CC1=NN(c2cccc(S([O-])(=O)=O)c2)C(=O)C1N=Nc1cc(Cl)c(C)cc1S([O-])(=O)=O.[Ca+2]
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

9 names
  • Benzenesulfonic acid, 4-chloro-2-[2-[4,5-dihydro-3-methyl-5-oxo-1-(3-sulfophenyl)-1H-pyrazol-4-yl]diazenyl]-5-methyl-, calcium salt (1:1)
  • Benzenesulfonic acid, 4-chloro-2-[[4,5-dihydro-3-methyl-5-oxo-1-(3-sulfophenyl)-1H-pyrazol-4-yl]azo]-5-methyl-, calcium salt (1:1)
  • C.I. 18795
  • C.I. Pigment yellow 191
  • PV fast yellow HGR
  • Yellow HGR
  • PY 191
  • PV fast yellow H 2GR
  • Yellow H 2GR

Work with Pigment yellow 191

Similar compounds

Tanimoto similarity of circular fingerprints over the whole catalogue.

Elsewhere