Registration Dossier

Diss Factsheets

Identification

Display Name:
Benzoic acid, 2,3,4,5-tetrachloro-6-cyano-, methyl ester, reaction products with 4-[2-(4-aminophenyl)diazenyl]-3-methylbenzenamine and methanol sodium salt (1:1)
EC Number:
600-734-7
CAS Number:
106276-78-2
Molecular formula:
C13H14N.C9H3Cl4NO2.CH4O.Na
IUPAC Name:
Benzoic acid, 2,3,4,5-tetrachloro-6-cyano-, methyl ester, reaction products with 4-[2-(4-aminophenyl)diazenyl]-3-methylbenzenamine and methanol sodium salt (1:1)

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:
Benzoic acid, 2,3,4,5-tetrachloro-6-cyano-, methyl ester, reaction products with 4-[2-(4-aminophenyl)diazenyl]-3-methylbenzenamine and methanol sodium salt (1:1)
EC Number:
600-734-7
CAS Number:
106276-78-2
Molecular formula:
C13H14N.C9H3Cl4NO2.CH4O.Na
IUPAC Name:
Benzoic acid, 2,3,4,5-tetrachloro-6-cyano-, methyl ester, reaction products with 4-[2-(4-aminophenyl)diazenyl]-3-methylbenzenamine and methanol sodium salt (1:1)

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)