Pigment yellow 138

C26H6Cl8N2O4CAS 30125-47-4693.94 g/mol

Open in Covalent MOL file
NOOClClClClNOOClClClCl
AmideAryl halideKetoneLactam

Properties

Molecular formula
C26H6Cl8N2O4
Molar mass
693.94 g/mol
Exact mass
689.7836 Da
logP
9.43Crippen estimate
Polar surface area
84.4 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
2

Hazards

Not classified as hazardous under GHS by 382 ECHA notifiers. Aggregated from 382 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
30125-47-4
SMILES
C1=CC2=C(C(=C1)N3C(=O)C4=C(C3=O)C(=C(C(=C4Cl)Cl)Cl)Cl)N=C(C=C2)C5C(=O)C6=C(C5=O)C(=C(C(=C6Cl)Cl)Cl)Cl
InChIKey
ZEHOVWPIGREOPO-UHFFFAOYSA-N
InChI
InChI=1S/C26H6Cl8N2O4/c27-14-10-11(15(28)19(32)18(14)31)24(38)9(23(10)37)7-5-4-6-2-1-3-8(22(6)35-7)36-25(39)12-13(26(36)40)17(30)21(34)20(33)16(12)29/h1-5,9H

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Names and synonyms

1 names
  • 4,5,6,7-Tetrachloro-2-[2-(4,5,6,7-tetrachloro-1,3-dioxoinden-2-yl)quinolin-8-yl]isoindole-1,3-dione

Work with Pigment yellow 138

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

Solvent red 13520749-68-242 % similar Solvent red 13571902-17-542 % similar Quinoline yellow8003-22-338 % similar 4,5,6,7-Tetrachloro-2-methyl-1H-isoindole-1,3(2H)-dione14737-80-531 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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