Pigment Orange 61

CAS Registry Number®

40716-47-0

CAS Name

Pigment Orange 61

Molecular Formula

C29H12Cl8N6O2

Molecular Mass

760.07

Cite this Page

Pigment Orange 61.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=40716-47-0 (retrieved 2024-11-24) (CAS RN: 40716-47-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C29H12Cl8N6O2/c1-9-8-12(39-27-15-17(29(45)41-27)21(33)25(37)23(35)19(15)31)6-7-13(9)43-42-11-4-2-10(3-5-11)38-26-14-16(28(44)40-26)20(32)24(36)22(34)18(14)30/h2-8H,1H3,(H,38,40,44)(H,39,41,45)

InChIKey

InChIKey=XSYQXXVSXOYVET-UHFFFAOYSA-N

SMILES

N(C=1C=2C(C(=O)N1)=C(Cl)C(Cl)=C(Cl)C2Cl)C3=CC(C)=C(N=NC4=CC=C(NC=5C=6C(C(=O)N5)=C(Cl)C(Cl)=C(Cl)C6Cl)C=C4)C=C3

Canonical SMILES

O=C1N=C(NC2=CC=C(N=NC3=CC=C(C=C3C)NC4=NC(=O)C=5C(Cl)=C(Cl)C(Cl)=C(Cl)C45)C=C2)C=6C(Cl)=C(Cl)C(Cl)=C(Cl)C16

Other Names for this Substance

  • 1H-Isoindol-1-one, 4,5,6,7-tetrachloro-3-[[3-methyl-4-[2-[4-[(4,5,6,7-tetrachloro-1-oxo-1H-isoindol-3-yl)amino]phenyl]diazenyl]phenyl]amino]-
  • 1H-Isoindol-1-one, 4,5,6,7-tetrachloro-3-[[3-methyl-4-[[4-[(4,5,6,7-tetrachloro-1-oxo-1H-isoindol-3-yl)amino]phenyl]azo]phenyl]amino]-
  • 4,5,6,7-Tetrachloro-3-[[3-methyl-4-[2-[4-[(4,5,6,7-tetrachloro-1-oxo-1H-isoindol-3-yl)amino]phenyl]diazenyl]phenyl]amino]-1H-isoindol-1-one
  • C.I. 11265
  • Pigment Orange 61

View All

Deleted or Replaced CAS Registry Numbers

76168-74-6, 178096-40-7

CAS INSIGHTSTM
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