Registration Dossier

Diss Factsheets

Identification

Chemical structure
Display Name:
Mixture of octachloro, monomethoxy-heptachloro and bismethoxy-hexachloro derivatives of 3,3'-(1,4-phenylenedinitrilo)bis[2,3-dihydro-1H-isoindol-1-one]
EC Number:
600-736-8
CAS Number:
106276-80-6
Molecular formula:
C9 H3 Cl4 N O2 .C6 H8 N2 .C H40 .Na
IUPAC Name:
Mixture of octachloro, monomethoxy-heptachloro and bismethoxy-hexachloro derivatives of 3,3'-(1,4-phenylenedinitrilo)bis[2,3-dihydro-1H-isoindol-1-one]

Type of Substance

Composition:
UVCB
Origin:
organic

Substance Identifiers open all close all

  • Irgazin Yellow 3RLTN
  • Irgazin Yellow L 2060
  • Compositions

    Boundary Composition(s) open all close all

    State Form:
    solid: particulate/powder


    Constituent 1
    Chemical structure
    Reference substance name:
    p-phenylenediamine
    EC Number:
    203-404-7
    EC Name:
    p-phenylenediamine
    CAS Number:
    106-50-3
    Molecular formula:
    C6H8N2
    IUPAC Name:
    benzene-1,4-diamine
    Constituent 2
    Chemical structure
    Reference substance name:
    3,4,5,6-tetrachlorophthalimide
    EC Number:
    216-386-0
    EC Name:
    3,4,5,6-tetrachlorophthalimide
    CAS Number:
    1571-13-7
    Molecular formula:
    C8HCl4NO2
    IUPAC Name:
    4,5,6,7-tetrachloro-1H-isoindole-1,3(2H)-dione
    Constituent 3
    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 4
    Chemical structure
    Reference substance name:
    3,3'-(1,4-phenylenediimino)bis[4,5,6,7-tetrachloro-1H-isoindol-1-one]
    EC Number:
    226-999-5
    EC Name:
    3,3'-(1,4-phenylenediimino)bis[4,5,6,7-tetrachloro-1H-isoindol-1-one]
    CAS Number:
    5590-18-1
    Molecular formula:
    C22H6Cl8N4O2
    IUPAC Name:
    3,3'-(1,4-phenylenediimino)bis(4,5,6,7-tetrachloro-1H-isoindol-1-one)
    Constituent 5
    Chemical structure
    Reference substance name:
    mono/bis-methoxy derivatives
    Molecular formula:
    C22-24H6-12Cl6-8N4O2-4
    IUPAC Name:
    mono/bis-methoxy derivatives
    State Form:
    solid: nanoform


    Constituent 1
    Chemical structure
    Reference substance name:
    p-phenylenediamine
    EC Number:
    203-404-7
    EC Name:
    p-phenylenediamine
    CAS Number:
    106-50-3
    Molecular formula:
    C6H8N2
    IUPAC Name:
    benzene-1,4-diamine
    Constituent 2
    Chemical structure
    Reference substance name:
    3,4,5,6-tetrachlorophthalimide
    EC Number:
    216-386-0
    EC Name:
    3,4,5,6-tetrachlorophthalimide
    CAS Number:
    1571-13-7
    Molecular formula:
    C8HCl4NO2
    IUPAC Name:
    4,5,6,7-tetrachloro-1H-isoindole-1,3(2H)-dione
    Constituent 3
    Chemical structure
    Reference substance name:
    3,3'-(1,4-phenylenediimino)bis[4,5,6,7-tetrachloro-1H-isoindol-1-one]
    EC Number:
    226-999-5
    EC Name:
    3,3'-(1,4-phenylenediimino)bis[4,5,6,7-tetrachloro-1H-isoindol-1-one]
    CAS Number:
    5590-18-1
    Molecular formula:
    C22H6Cl8N4O2
    IUPAC Name:
    3,3'-(1,4-phenylenediimino)bis(4,5,6,7-tetrachloro-1H-isoindol-1-one)
    Constituent 4
    Chemical structure
    Reference substance name:
    mono/bis-methoxy derivatives
    Molecular formula:
    C22-24H6-12Cl6-8N4O2-4
    IUPAC Name:
    mono/bis-methoxy derivatives

    Characterisation of nanoforms

    Type of information reported:
    single nanoform
    Name of nanoform:
    Boundary composition_PY 110_nanoform

    Shape

    Shape descriptionopen allclose all
    Shape category:
    spheroidal
    Shape:
    orthorhombic
    Pure shape:
    no
    Range:
    >= 0 - <= 50 %
    Shape category:
    spheroidal
    Shape:
    spherical
    Pure shape:
    no
    Range:
    >= 0 - <= 50 %
    Shape category:
    elongated
    Shape:
    rod
    Pure shape:
    no
    Range:
    >= 0 - <= 100 %

    Particle size distribution and range

    Particle size distribution and rangeopen allclose all
    Shape category:
    spheroidal
    Percentileopen allclose all
    Percentile:
    D50
    Range:
    > 10 - <= 200 nm
    Percentile:
    D10
    Range:
    > 10 - <= 200 nm
    Percentile:
    D90
    Range:
    > 10 - <= 200 nm
    Additional information:
    spheroidal - orthorombic
    Fraction of constituent particles in the size range 1-100 nm:
    >= 50 - <= 100 %
    Shape category:
    spheroidal
    Percentileopen allclose all
    Percentile:
    D50
    Range:
    > 10 - <= 200 nm
    Percentile:
    D10
    Range:
    > 10 - <= 200 nm
    Percentile:
    D90
    Range:
    > 10 - <= 200 nm
    Additional information:
    spheroidal - spherical
    Fraction of constituent particles in the size range 1-100 nm:
    >= 50 - <= 100 %
    Shape category:
    elongated
    Percentileopen allclose all
    Percentile:
    D50
    Range:
    > 10 - <= 200 nm
    Percentile:
    D10
    Range:
    > 10 - <= 200 nm
    Percentile:
    D90
    Range:
    > 10 - <= 200 nm
    Typical length:
    ca. 150 nm
    Range of length:
    > 50 - < 1 000 nm
    Typical aspect ratio (:1):
    >= 3 :1
    Range of aspect ratio (:1):
    >= 3 - <= 7
    Fraction of constituent particles in the size range 1-100 nm:
    >= 50 - <= 100 %

    Crystallinity

    Structures
    Structure:
    crystalline
    Name:
    Boundary composition_PY 110_nanoform
    Pure structure:
    yes
    Description:
    Assessed as crystalline based on TEM pictures. 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.

    Specific surface area

    Typical specific surface area:
    ca. 50 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: particulate/powder


    Constituent 1
    Chemical structure
    Reference substance name:
    3,3'-(1,4-phenylenediimino)bis[4,5,6,7-tetrachloro-1H-isoindol-1-one]
    EC Number:
    226-999-5
    EC Name:
    3,3'-(1,4-phenylenediimino)bis[4,5,6,7-tetrachloro-1H-isoindol-1-one]
    CAS Number:
    5590-18-1
    Molecular formula:
    C22H6Cl8N4O2
    IUPAC Name:
    3,3'-(1,4-phenylenediimino)bis(4,5,6,7-tetrachloro-1H-isoindol-1-one)
    Constituent 2
    Chemical structure
    Reference substance name:
    mono/bis-methoxy derivatives
    Molecular formula:
    C22-24H6-12Cl6-8N4O2-4
    IUPAC Name:
    mono/bis-methoxy derivatives
    Constituent 3
    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 4
    Chemical structure
    Reference substance name:
    3,4,5,6-tetrachlorophthalimide
    EC Number:
    216-386-0
    EC Name:
    3,4,5,6-tetrachlorophthalimide
    CAS Number:
    1571-13-7
    Molecular formula:
    C8HCl4NO2
    IUPAC Name:
    4,5,6,7-tetrachloro-1H-isoindole-1,3(2H)-dione
    Constituent 5
    Chemical structure
    Reference substance name:
    p-phenylenediamine
    EC Number:
    203-404-7
    EC Name:
    p-phenylenediamine
    CAS Number:
    106-50-3
    Molecular formula:
    C6H8N2
    IUPAC Name:
    benzene-1,4-diamine
    Constituent 6
    Chemical structure
    Reference substance name:
    Hexachlorobenzene
    EC Number:
    204-273-9
    EC Name:
    Hexachlorobenzene
    CAS Number:
    118-74-1
    Molecular formula:
    C6Cl6
    IUPAC Name:
    hexachlorobenzene
    Constituent 7
    Reference substance name:
    unkown organic impurity/ies; no molecular and structural information available
    IUPAC Name:
    unkown organic impurity/ies; no molecular and structural information available
    State Form:
    solid: nanoform


    Constituent 1
    Chemical structure
    Reference substance name:
    p-phenylenediamine
    EC Number:
    203-404-7
    EC Name:
    p-phenylenediamine
    CAS Number:
    106-50-3
    Molecular formula:
    C6H8N2
    IUPAC Name:
    benzene-1,4-diamine
    Constituent 2
    Chemical structure
    Reference substance name:
    Hexachlorobenzene
    EC Number:
    204-273-9
    EC Name:
    Hexachlorobenzene
    CAS Number:
    118-74-1
    Molecular formula:
    C6Cl6
    IUPAC Name:
    hexachlorobenzene
    Constituent 3
    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 4
    Chemical structure
    Reference substance name:
    3,4,5,6-tetrachlorophthalimide
    EC Number:
    216-386-0
    EC Name:
    3,4,5,6-tetrachlorophthalimide
    CAS Number:
    1571-13-7
    Molecular formula:
    C8HCl4NO2
    IUPAC Name:
    4,5,6,7-tetrachloro-1H-isoindole-1,3(2H)-dione
    Constituent 5
    Chemical structure
    Reference substance name:
    mono/bis-methoxy derivatives
    Molecular formula:
    C22-24H6-12Cl6-8N4O2-4
    IUPAC Name:
    mono/bis-methoxy derivatives
    Constituent 6
    Chemical structure
    Reference substance name:
    3,3'-(1,4-phenylenediimino)bis[4,5,6,7-tetrachloro-1H-isoindol-1-one]
    EC Number:
    226-999-5
    EC Name:
    3,3'-(1,4-phenylenediimino)bis[4,5,6,7-tetrachloro-1H-isoindol-1-one]
    CAS Number:
    5590-18-1
    Molecular formula:
    C22H6Cl8N4O2
    IUPAC Name:
    3,3'-(1,4-phenylenediimino)bis(4,5,6,7-tetrachloro-1H-isoindol-1-one)

    Characterisation of nanoforms

    Type of information reported:
    single nanoform
    Name of nanoform:
    LE_PY110_nanoform

    Shape

    Shape description
    Shape category:
    elongated
    Shape:
    rod
    Pure shape:
    yes
    Typical composition:
    >= 85 %
    Range:
    >= 80 - <= 100 %

    Particle size distribution and range

    Particle size distribution and range
    Shape category:
    elongated
    Percentileopen allclose all
    Percentile:
    D10
    Typical value:
    ca. 25 nm
    Range:
    >= 10 - <= 200 nm
    Percentile:
    D90
    Typical value:
    ca. 83 nm
    Range:
    >= 10 - <= 200 nm
    Percentile:
    D50
    Typical value:
    ca. 46 nm
    Range:
    >= 10 - <= 200 nm
    Typical length:
    ca. 160 nm
    Range of length:
    >= 70 - <= 300 nm
    Typical aspect ratio (:1):
    ca. 3.5 :1
    Range of aspect ratio (:1):
    >= 1.2 - <= 6
    Fraction of constituent particles in the size range 1-100 nm:
    > 85 - <= 100 %

    Crystallinity

    Structures
    Structure:
    crystalline
    Name:
    LE_PY 110_nanofrm
    Pure structure:
    yes
    Description:
    Crystallinity
    Assessed as crystalline based on TEM pictures form attached dossier ID 31 and on XRD. 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 31.
    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. 48 m²/g
    Range of specific surface area:
    > 30 - < 100 m²/g

    Surface functionalisation / treatment

    Surface treatment applied:
    no
    State Form:
    solid: nanoform


    Constituent 1
    Chemical structure
    Reference substance name:
    3,3'-(1,4-phenylenediimino)bis[4,5,6,7-tetrachloro-1H-isoindol-1-one]
    EC Number:
    226-999-5
    EC Name:
    3,3'-(1,4-phenylenediimino)bis[4,5,6,7-tetrachloro-1H-isoindol-1-one]
    CAS Number:
    5590-18-1
    Molecular formula:
    C22H6Cl8N4O2
    IUPAC Name:
    3,3'-(1,4-phenylenediimino)bis(4,5,6,7-tetrachloro-1H-isoindol-1-one)
    Constituent 2
    Chemical structure
    Reference substance name:
    not yet assigned
    Molecular formula:
    C22-24H6-12Cl6-8N4O2-4
    IUPAC Name:
    not yet assigned

    Characterisation of nanoforms

    Type of information reported:
    single nanoform
    Name of nanoform:
    PY110 (Benzoic acid, 2,3,4,5-tetrachloro-6-cyano-, methyl ester, reaction products with p-phenylenediamine and sodium methoxide) spherical nanoform 50 nm, not surface-treated

    Shape

    Shape description
    Shape category:
    spheroidal
    Shape:
    spherical
    Pure shape:
    yes

    Particle size distribution and range

    Particle size distribution and range
    Shape category:
    spheroidal
    Percentileopen allclose all
    Percentile:
    D50
    Typical value:
    ca. 54 nm
    Range:
    ca. 50 - ca. 60 nm
    Percentile:
    D10
    Typical value:
    ca. 31 nm
    Range:
    ca. 25 - ca. 40 nm
    Percentile:
    D90
    Typical value:
    ca. 85 nm
    Range:
    ca. 75 - ca. 95 nm
    Fraction of constituent particles in the size range 1-100 nm:
    ca. 90 - ca. 95 %

    Crystallinity

    Structures
    Structure:
    crystalline
    Name:
    needle
    Pure structure:
    yes

    Specific surface area

    Typical specific surface area:
    ca. 44.6 m²/g
    Range of specific surface area:
    ca. 40 - ca. 50 m²/g
    Typical volume specific surface area:
    ca. 83 m²/cm³
    Range of volume specific surface area:
    ca. 70 - ca. 93 m²/cm³
    Skeletal density:
    ca. 1.81 g/cm³

    Surface functionalisation / treatment

    Surface treatment applied:
    no
    State Form:
    solid: particulate/powder


    Constituent 1
    Chemical structure
    Reference substance name:
    3,3'-(1,4-phenylenediimino)bis[4,5,6,7-tetrachloro-1H-isoindol-1-one]
    EC Number:
    226-999-5
    EC Name:
    3,3'-(1,4-phenylenediimino)bis[4,5,6,7-tetrachloro-1H-isoindol-1-one]
    CAS Number:
    5590-18-1
    Molecular formula:
    C22H6Cl8N4O2
    IUPAC Name:
    3,3'-(1,4-phenylenediimino)bis(4,5,6,7-tetrachloro-1H-isoindol-1-one)
    Constituent 2
    Chemical structure
    Reference substance name:
    not yet assigned
    Molecular formula:
    C22-24H6-12Cl6-8N4O2-4
    IUPAC Name:
    not yet assigned
    State Form:
    solid: particulate/powder


    Constituent 1
    Chemical structure
    Reference substance name:
    3,3'-(1,4-phenylenediimino)bis[4,5,6,7-tetrachloro-1H-isoindol-1-one]
    EC Number:
    226-999-5
    EC Name:
    3,3'-(1,4-phenylenediimino)bis[4,5,6,7-tetrachloro-1H-isoindol-1-one]
    CAS Number:
    5590-18-1
    Molecular formula:
    C22H6Cl8N4O2
    IUPAC Name:
    3,3'-(1,4-phenylenediimino)bis(4,5,6,7-tetrachloro-1H-isoindol-1-one)
    Constituent 2
    Reference substance name:
    mono/bis-methoxy derivatives
    Molecular formula:
    not applicable (UVCB)
    IUPAC Name:
    mono/bis-methoxy derivatives
    State Form:
    solid: particulate/powder


    Constituent 1
    Chemical structure
    Reference substance name:
    3,3'-(1,4-phenylenediimino)bis[4,5,6,7-tetrachloro-1H-isoindol-1-one]
    EC Number:
    226-999-5
    EC Name:
    3,3'-(1,4-phenylenediimino)bis[4,5,6,7-tetrachloro-1H-isoindol-1-one]
    CAS Number:
    5590-18-1
    Molecular formula:
    C22H6Cl8N4O2
    IUPAC Name:
    3,3'-(1,4-phenylenediimino)bis(4,5,6,7-tetrachloro-1H-isoindol-1-one)
    State Form:
    solid: particulate/powder


    Constituent 1
    Chemical structure
    Reference substance name:
    3,3'-(1,4-phenylenediimino)bis[4,5,6,7-tetrachloro-1H-isoindol-1-one]
    EC Number:
    226-999-5
    EC Name:
    3,3'-(1,4-phenylenediimino)bis[4,5,6,7-tetrachloro-1H-isoindol-1-one]
    CAS Number:
    5590-18-1
    Molecular formula:
    C22H6Cl8N4O2
    IUPAC Name:
    3,3'-(1,4-phenylenediimino)bis(4,5,6,7-tetrachloro-1H-isoindol-1-one)
    Constituent 2
    Chemical structure
    Reference substance name:
    mono/bis-methoxy derivatives
    Molecular formula:
    C22-24H6-12Cl6-8N4O2-4
    IUPAC Name:
    mono/bis-methoxy derivatives