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The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Identification

Display Name:
(3Z)-4,5,6,7-tetrachloro-3-({3-methyl-4-[(1E)-2-(3-methylphenyl)diazen-1-yl]phenyl}imino)-2,3-dihydro-1H-isoindol-1-one; 4,5,6,7-tetrachloro-3-({3-methyl-4-[(1E)-2-{4-[(4,5,6,7-tetrachloro-1-oxo-1H-isoindol-3-yl)amino]phenyl}diazen-1-yl]phenyl}amino)-1H-isoindol-1-one; 6-acetyl-3-({4-[(1E)-2-{4-[(6-acetyl-4,5,7-trichloro-1-oxo-1H-isoindol-3-yl)amino]phenyl}diazen-1-yl]-3-methylphenyl}amino)-4,5,7-trichloro-1H-isoindol-1-one; 6-acetyl-3-({4-[(1E)-2-{4-[(7-acetyl-4,5,6-trichloro-1-oxo-1H-isoindol-3-yl)amino]phenyl}diazen-1-yl]-3-methylphenyl}amino)-4,5,7-trichloro-1H-isoindol-1-one; 7-acetyl-3-({4-[(1E)-2-{4-[(6-acetyl-4,5,7-trichloro-1-oxo-1H-isoindol-3-yl)amino]phenyl}diazen-1-yl]-3-methylphenyl}amino)-4,5,6-trichloro-1H-isoindol-1-one; 7-acetyl-3-({4-[(1E)-2-{4-[(7-acetyl-4,5,6-trichloro-1-oxo-1H-isoindol-3-yl)amino]phenyl}diazen-1-yl]-3-methylphenyl}amino)-4,5,6-trichloro-1H-isoindol-1-one; N-{4-[(1E)-2-(2-methyl-4-{[(1Z)-4,5,6,7-tetrachloro-3-oxo-2,3-dihydro-1H-isoindol-1-ylidene]amino}phenyl)diazen-1-yl]phenyl}acetamide
EC Number:
600-734-7
CAS Number:
106276-78-2
Molecular formula:
C13H14N.C9H3Cl4NO2.CH4O.Na
IUPAC Name:
(3Z)-4,5,6,7-tetrachloro-3-({3-methyl-4-[(1E)-2-(3-methylphenyl)diazen-1-yl]phenyl}imino)-2,3-dihydro-1H-isoindol-1-one; 4,5,6,7-tetrachloro-3-({3-methyl-4-[(1E)-2-{4-[(4,5,6,7-tetrachloro-1-oxo-1H-isoindol-3-yl)amino]phenyl}diazen-1-yl]phenyl}amino)-1H-isoindol-1-one; 6-acetyl-3-({4-[(1E)-2-{4-[(6-acetyl-4,5,7-trichloro-1-oxo-1H-isoindol-3-yl)amino]phenyl}diazen-1-yl]-3-methylphenyl}amino)-4,5,7-trichloro-1H-isoindol-1-one; 6-acetyl-3-({4-[(1E)-2-{4-[(7-acetyl-4,5,6-trichloro-1-oxo-1H-isoindol-3-yl)amino]phenyl}diazen-1-yl]-3-methylphenyl}amino)-4,5,7-trichloro-1H-isoindol-1-one; 7-acetyl-3-({4-[(1E)-2-{4-[(6-acetyl-4,5,7-trichloro-1-oxo-1H-isoindol-3-yl)amino]phenyl}diazen-1-yl]-3-methylphenyl}amino)-4,5,6-trichloro-1H-isoindol-1-one; 7-acetyl-3-({4-[(1E)-2-{4-[(7-acetyl-4,5,6-trichloro-1-oxo-1H-isoindol-3-yl)amino]phenyl}diazen-1-yl]-3-methylphenyl}amino)-4,5,6-trichloro-1H-isoindol-1-one; N-{4-[(1E)-2-(2-methyl-4-{[(1Z)-4,5,6,7-tetrachloro-3-oxo-2,3-dihydro-1H-isoindol-1-ylidene]amino}phenyl)diazen-1-yl]phenyl}acetamide

Type of Substance

Composition:
UVCB
Origin:
organic

Substance Identifiers

Compositions

Boundary Composition(s) open all close all

State Form:
solid: nanoform


Constituent 1
Chemical structure
Reference substance name:
Water
EC Number:
231-791-2
EC Name:
Water
CAS Number:
7732-18-5
Molecular formula:
H2O
IUPAC Name:
water
Constituent 2
Chemical structure
Reference substance name:
4,5,6,7-tetrachloro-3-[3-methyl-4-[m-tolylazo]phenyl]imino-isoindolin-1-one
Molecular formula:
C22H14Cl4N4O
IUPAC Name:
4,5,6,7-tetrachloro-3-[3-methyl-4-[m-tolylazo]phenyl]imino-isoindolin-1-one
Constituent 3
Chemical structure
Reference substance name:
N-[4-[[2-methyl-4-[(4,5,6,7-tetrachloro-3-oxo-isoindolin-1-ylidene)amino]phenyl]azo]phenyl]acetamide
Molecular formula:
C23H15Cl4N5O2
IUPAC Name:
N-[4-[[2-methyl-4-[(4,5,6,7-tetrachloro-3-oxo-isoindolin-1-ylidene)amino]phenyl]azo]phenyl]acetamide
Constituent 4
Chemical structure
Reference substance name:
monomethoxy-heptachloro derivative of 3-[[3-methyl-4-[[4-[(1-oxo-1H-isoindol-3-yl)amino]phenyl]azo]phenyl]amino]-1H-isoindol-1-one
Molecular formula:
C30H15Cl7N6O3
IUPAC Name:
monomethoxy-heptachloro derivative of 3-[[3-methyl-4-[[4-[(1-oxo-1H-isoindol-3-yl)amino]phenyl]azo]phenyl]amino]-1H-isoindol-1-one
Constituent 5
Reference substance name:
(3Z)-4,5,6,7-tetrachloro-3-({3-methyl-4-[(1E)-2-(3-methylphenyl)diazen-1-yl]phenyl}imino)-2,3-dihydro-1H-isoindol-1-one; 4,5,6,7-tetrachloro-3-({3-methyl-4-[(1E)-2-{4-[(4,5,6,7-tetrachloro-1-oxo-1H-isoindol-3-yl)amino]phenyl}diazen-1-yl]phenyl}amino)-1H-isoindol-1-one; 6-acetyl-3-({4-[(1E)-2-{4-[(6-acetyl-4,5,7-trichloro-1-oxo-1H-isoindol-3-yl)amino]phenyl}diazen-1-yl]-3-methylphenyl}amino)-4,5,7-trichloro-1H-isoindol-1-one; 6-acetyl-3-({4-[(1E)-2-{4-[(7-acetyl-4,5,6-trichloro-1-oxo-1H-isoindol-3-yl)amino]phenyl}diazen-1-yl]-3-methylphenyl}amino)-4,5,7-trichloro-1H-isoindol-1-one; 7-acetyl-3-({4-[(1E)-2-{4-[(6-acetyl-4,5,7-trichloro-1-oxo-1H-isoindol-3-yl)amino]phenyl}diazen-1-yl]-3-methylphenyl}amino)-4,5,6-trichloro-1H-isoindol-1-one; 7-acetyl-3-({4-[(1E)-2-{4-[(7-acetyl-4,5,6-trichloro-1-oxo-1H-isoindol-3-yl)amino]phenyl}diazen-1-yl]-3-methylphenyl}amino)-4,5,6-trichloro-1H-isoindol-1-one; N-{4-[(1E)-2-(2-methyl-4-{[(1Z)-4,5,6,7-tetrachloro-3-oxo-2,3-dihydro-1H-isoindol-1-ylidene]amino}phenyl)diazen-1-yl]phenyl}acetamide
EC Number:
600-734-7
CAS Number:
106276-78-2
Molecular formula:
C13H14N.C9H3Cl4NO2.CH4O.Na
IUPAC Name:
(3Z)-4,5,6,7-tetrachloro-3-({3-methyl-4-[(1E)-2-(3-methylphenyl)diazen-1-yl]phenyl}imino)-2,3-dihydro-1H-isoindol-1-one; 4,5,6,7-tetrachloro-3-({3-methyl-4-[(1E)-2-{4-[(4,5,6,7-tetrachloro-1-oxo-1H-isoindol-3-yl)amino]phenyl}diazen-1-yl]phenyl}amino)-1H-isoindol-1-one; 6-acetyl-3-({4-[(1E)-2-{4-[(6-acetyl-4,5,7-trichloro-1-oxo-1H-isoindol-3-yl)amino]phenyl}diazen-1-yl]-3-methylphenyl}amino)-4,5,7-trichloro-1H-isoindol-1-one; 6-acetyl-3-({4-[(1E)-2-{4-[(7-acetyl-4,5,6-trichloro-1-oxo-1H-isoindol-3-yl)amino]phenyl}diazen-1-yl]-3-methylphenyl}amino)-4,5,7-trichloro-1H-isoindol-1-one; 7-acetyl-3-({4-[(1E)-2-{4-[(6-acetyl-4,5,7-trichloro-1-oxo-1H-isoindol-3-yl)amino]phenyl}diazen-1-yl]-3-methylphenyl}amino)-4,5,6-trichloro-1H-isoindol-1-one; 7-acetyl-3-({4-[(1E)-2-{4-[(7-acetyl-4,5,6-trichloro-1-oxo-1H-isoindol-3-yl)amino]phenyl}diazen-1-yl]-3-methylphenyl}amino)-4,5,6-trichloro-1H-isoindol-1-one; N-{4-[(1E)-2-(2-methyl-4-{[(1Z)-4,5,6,7-tetrachloro-3-oxo-2,3-dihydro-1H-isoindol-1-ylidene]amino}phenyl)diazen-1-yl]phenyl}acetamide

Characterisation of nanoforms

Type of information reported:
single nanoform
Name of nanoform:
Boundary composition Pigment Orange 61_nanoform

Shape

Shape description
Shape category:
spheroidal
Shape:
spherical
Pure shape:
yes
Typical composition:
>= 50 %
Range:
>= 50 - <= 100 %

Particle size distribution and range

Particle size distribution and range
Shape category:
spheroidal
Percentileopen allclose all
Percentile:
D90
Typical value:
ca. 140 nm
Range:
>= 1 - <= 300 nm
Percentile:
D50
Typical value:
ca. 75 nm
Range:
>= 1 - <= 300 nm
Percentile:
D10
Typical value:
ca. 34 nm
Range:
>= 1 - <= 300 nm
Fraction of constituent particles in the size range 1-100 nm:
> 50 - <= 100 %

Crystallinity

Structures
Structure:
crystalline
Name:
LE Pigment Orange 61_nanoform
Pure structure:
yes
Typical composition:
> 80 %
Range:
>= 50 - <= 100 %
Description:
Determination of crystal lattice is unclear based on TEM and would need Rietveld refinement based on powder X-ray difffractogramm https://en.wikipedia.org/wiki/Rietveld_refinement) , which is not available.

Assessed as crystalline based on TEM pictures form attached dossier ID 151.
It is well known in the field of Pigments, that powder X-Ray diffraction mesurements of very fine crystals cannot be used to properly define the crystal system and/or Bravais lattice due to signal broadening.
(e.g. Herbst, Hunger, Industrial Organic Pigments VCH, 1993, p.44)

Specific surface area

Typical specific surface area:
ca. 57 m²/g
Range of specific surface area:
> 30 - <= 100 m²/g

Surface functionalisation / treatment

Surface treatment applied:
no

Legal Entity Composition(s) open all close all

State Form:
solid: nanoform


Constituent 1
Chemical structure
Reference substance name:
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]-1H-isoindol-1-one
EC Number:
255-052-9
EC Name:
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]-1H-isoindol-1-one
CAS Number:
40716-47-0
Molecular formula:
C29H12Cl8N6O2
IUPAC Name:
4,5,6,7-tetrachloro-3-{[3-methyl-4-({4-[(4,5,6,7-tetrachloro-1-oxo-1H-isoindol-3-yl)amino]phenyl}diazenyl)phenyl]amino}-1H-isoindol-1-one
Constituent 2
Chemical structure
Reference substance name:
monomethoxy-heptachloro derivative of 3-[[3-methyl-4-[[4-[(1-oxo-1H-isoindol-3-yl)amino]phenyl]azo]phenyl]amino]-1H-isoindol-1-one
Molecular formula:
C30H15Cl7N6O3
IUPAC Name:
monomethoxy-heptachloro derivative of 3-[[3-methyl-4-[[4-[(1-oxo-1H-isoindol-3-yl)amino]phenyl]azo]phenyl]amino]-1H-isoindol-1-one
Constituent 3
Chemical structure
Reference substance name:
N-[4-[[2-methyl-4-[(4,5,6,7-tetrachloro-3-oxo-isoindolin-1-ylidene)amino]phenyl]azo]phenyl]acetamide
Molecular formula:
C23H15Cl4N5O2
IUPAC Name:
N-[4-[[2-methyl-4-[(4,5,6,7-tetrachloro-3-oxo-isoindolin-1-ylidene)amino]phenyl]azo]phenyl]acetamide
Constituent 4
Chemical structure
Reference substance name:
4,5,6,7-tetrachloro-3-[3-methyl-4-[m-tolylazo]phenyl]imino-isoindolin-1-one
Molecular formula:
C22H14Cl4N4O
IUPAC Name:
4,5,6,7-tetrachloro-3-[3-methyl-4-[m-tolylazo]phenyl]imino-isoindolin-1-one
Constituent 5
Chemical structure
Reference substance name:
Water
EC Number:
231-791-2
EC Name:
Water
CAS Number:
7732-18-5
Molecular formula:
H2O
IUPAC Name:
water

Characterisation of nanoforms

Type of information reported:
single nanoform
Name of nanoform:
LE Pigment Orange 61_ nanoform

Shape

Shape description
Shape category:
spheroidal
Shape:
spherical
Pure shape:
yes
Typical composition:
> 90 %
Range:
> 85 - <= 100 %

Particle size distribution and range

Particle size distribution and range
Shape category:
spheroidal
Percentileopen allclose all
Percentile:
other: average
Typical value:
ca. 83 nm
Range:
>= 1 - <= 300 nm
Percentile:
D90
Typical value:
ca. 139 nm
Range:
>= 1 - <= 300 nm
Percentile:
D10
Typical value:
ca. 34 nm
Range:
>= 1 - <= 300 nm
Percentile:
D50
Typical value:
ca. 75 nm
Range:
>= 1 - <= 300 nm
Additional information:

Supporting analytical data can be provided in Section 1.4 of the IUCLID dossier.
Fraction of constituent particles in the size range 1-100 nm:
> 50 - <= 100 %

Crystallinity

Structures
Structure:
crystalline
Name:
PO 61_nano
Pure structure:
yes
Typical composition:
>= 80 %
Range:
>= 80 - <= 100 %
Description:
Determination of crystal lattice is unclear based on TEM and would need Rietveld refinement based on powder X-ray difffractogramm https://en.wikipedia.org/wiki/Rietveld_refinement) , which is not available.

Assessed as crystalline based on TEM pictures form attached dossier ID 151.
It is well known in the field of Pigments, that powder X-Ray diffraction mesurements of very fine crystals cannot be used to properly define the crystal system and/or Bravais lattice due to signal broadening.
(e.g. Herbst, Hunger, Industrial Organic Pigments VCH, 1993, p.44)

Specific surface area

Typical specific surface area:
ca. 57 m²/g
Range of specific surface area:
> 30 - < 90 m²/g

Surface functionalisation / treatment

Surface treatment applied:
no
State Form:
solid: bulk


Constituent 1
Chemical structure
Reference substance name:
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]-1H-isoindol-1-one
EC Number:
255-052-9
EC Name:
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]-1H-isoindol-1-one
CAS Number:
40716-47-0
Molecular formula:
C29H12Cl8N6O2
IUPAC Name:
4,5,6,7-tetrachloro-3-{[3-methyl-4-({4-[(4,5,6,7-tetrachloro-1-oxo-1H-isoindol-3-yl)amino]phenyl}diazenyl)phenyl]amino}-1H-isoindol-1-one
Constituent 2
Chemical structure
Reference substance name:
monomethoxy-heptachloro derivative of 3-[[3-methyl-4-[[4-[(1-oxo-1H-isoindol-3-yl)amino]phenyl]azo]phenyl]amino]-1H-isoindol-1-one
Molecular formula:
C30H15Cl7N6O3
IUPAC Name:
monomethoxy-heptachloro derivative of 3-[[3-methyl-4-[[4-[(1-oxo-1H-isoindol-3-yl)amino]phenyl]azo]phenyl]amino]-1H-isoindol-1-one
Constituent 3
Chemical structure
Reference substance name:
N-[4-[[2-methyl-4-[(4,5,6,7-tetrachloro-3-oxo-isoindolin-1-ylidene)amino]phenyl]azo]phenyl]acetamide
Molecular formula:
C23H15Cl4N5O2
IUPAC Name:
N-[4-[[2-methyl-4-[(4,5,6,7-tetrachloro-3-oxo-isoindolin-1-ylidene)amino]phenyl]azo]phenyl]acetamide
Constituent 4
Chemical structure
Reference substance name:
4,5,6,7-tetrachloro-3-[3-methyl-4-[m-tolylazo]phenyl]imino-isoindolin-1-one
Molecular formula:
C22H14Cl4N4O
IUPAC Name:
4,5,6,7-tetrachloro-3-[3-methyl-4-[m-tolylazo]phenyl]imino-isoindolin-1-one
Constituent 5
Chemical structure
Reference substance name:
Water
EC Number:
231-791-2
EC Name:
Water
CAS Number:
7732-18-5
Molecular formula:
H2O
IUPAC Name:
water

Composition(s) generated upon use

Other types of composition(s)