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Identification

Chemical structure
Display Name:
Xanthylium, 3,6-bis(ethylamino)-9-[2-(methoxycarbonyl)phenyl]-2,7-dimethyl-, molybdatesilicate
EC Number:
278-270-6
EC Name:
Xanthylium, 3,6-bis(ethylamino)-9-[2-(methoxycarbonyl)phenyl]-2,7-dimethyl-, molybdatesilicate
CAS Number:
75627-12-2
Molecular formula:
C54H58N4O6.MoO4 + C54H58N4O6.SiO3
IUPAC Name:
3,6-bis(ethylamino)-9-[2-(methoxycarbonyl)phenyl]-2,7-dimethyl-10λ⁴-xanthen-10-ylium dioxomolybdenumbis(olate) silicate

Type of Substance

Composition:
UVCB
Origin:
organometallic

Substance Identifiers open all close all

  • 75627-12-2
  • 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:
    oxidane
    Constituent 2
    Reference substance name:
    methyl 2-[3,6-bis(ethylamino)-2,7-dimethyl-1H-xanthen-9-yl]benzoate;molybdatesilicate
    Molecular formula:
    C54H58N4O6.MoO4 + C54H58N4O6.SiO3
    IUPAC Name:
    methyl 2-[3,6-bis(ethylamino)-2,7-dimethyl-1H-xanthen-9-yl]benzoate;molybdatesilicate
    Constituent 3
    Chemical structure
    Reference substance name:
    [9-(2-carboxyphenyl)-6-ethylamino-2,7-dimethylxanthen-3-ylidene]-ethylazanium
    CAS Number:
    82181-99-5
    Molecular formula:
    C26 H27 N2 O3
    IUPAC Name:
    [9-(2-carboxyphenyl)-6-ethylamino-2,7-dimethylxanthen-3-ylidene]-ethylazanium
    Constituent 4
    Reference substance name:
    Unknown Impurities
    Molecular formula:
    not applicable
    IUPAC Name:
    Unknown Impurities

    Characterisation of nanoforms

    Type of information reported:
    single nanoform
    This nanoform is covered by a registration:
    yes
    Name of nanoform:
    Pigment Red 81:2_Nanoform_Spheroidal

    Shape

    Shape description
    Shape category:
    spheroidal
    Shape:
    spherical
    Pure shape:
    yes
    Typical composition:
    ca. 100 %
    Range:
    >= 80 - <= 100 %

    Particle size distribution and range

    Particle size distribution and range
    Shape category:
    spheroidal
    Percentileopen allclose all
    Percentile:
    D10
    Typical value:
    ca. 29 nm
    Range:
    >= 10 - <= 60 nm
    Percentile:
    D50
    Typical value:
    ca. 36 nm
    Range:
    >= 10 - <= 80 nm
    Percentile:
    D90
    Typical value:
    ca. 49 nm
    Range:
    >= 20 - <= 100 nm
    Fraction of constituent particles in the size range 1-100 nm:
    >= 80 - <= 100 %

    Crystallinity

    Structures
    Structure:
    crystalline
    Name:
    C.I. Pigment Red 81:2
    Pure structure:
    yes
    Typical composition:
    ca. 100 %
    Range:
    >= 95 - <= 100 %

    Specific surface area

    Typical specific surface area:
    ca. 51.6 m²/g
    Range of specific surface area:
    >= 10 - <= 200 m²/g
    Skeletal density:
    1.619 g/cm³

    Surface functionalisation / treatment

    Surface treatment applied:
    no

    Legal Entity Composition(s) open all close all

    State Form:
    solid: nanoform


    Constituent 1
    Reference substance name:
    methyl 2-[3,6-bis(ethylamino)-2,7-dimethyl-1H-xanthen-9-yl]benzoate;molybdatesilicate
    Molecular formula:
    C54H58N4O6.MoO4 + C54H58N4O6.SiO3
    IUPAC Name:
    methyl 2-[3,6-bis(ethylamino)-2,7-dimethyl-1H-xanthen-9-yl]benzoate;molybdatesilicate
    Constituent 2
    Chemical structure
    Reference substance name:
    [9-(2-carboxyphenyl)-6-ethylamino-2,7-dimethylxanthen-3-ylidene]-ethylazanium
    CAS Number:
    82181-99-5
    Molecular formula:
    C26 H27 N2 O3
    IUPAC Name:
    [9-(2-carboxyphenyl)-6-ethylamino-2,7-dimethylxanthen-3-ylidene]-ethylazanium
    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:
    oxidane
    Constituent 4
    Reference substance name:
    Unknown Impurities
    Molecular formula:
    not applicable
    IUPAC Name:
    Unknown Impurities

    Characterisation of nanoforms

    Type of information reported:
    single nanoform
    This nanoform is covered by a registration:
    yes
    Name of nanoform:
    Pigment Red 81:2_Nanoform_Spheroidal

    Shape

    Shape description
    Shape category:
    spheroidal
    Shape:
    spherical
    Pure shape:
    yes
    Typical composition:
    ca. 100 %
    Range:
    >= 80 - <= 100 %

    Particle size distribution and range

    Particle size distribution and range
    Shape category:
    spheroidal
    Percentileopen allclose all
    Percentile:
    D10
    Typical value:
    ca. 29 nm
    Range:
    >= 10 - <= 60 nm
    Percentile:
    D50
    Typical value:
    ca. 36 nm
    Range:
    >= 10 - <= 80 nm
    Percentile:
    D90
    Typical value:
    ca. 49 nm
    Range:
    >= 20 - <= 100 nm
    Fraction of constituent particles in the size range 1-100 nm:
    >= 80 - <= 100 %

    Crystallinity

    Structures
    Structure:
    crystalline
    Name:
    C.I. Pigment Red 81:2
    Pure structure:
    yes
    Typical composition:
    ca. 100 %
    Range:
    >= 95 - <= 100 %

    Specific surface area

    Typical specific surface area:
    ca. 51.6 m²/g
    Range of specific surface area:
    >= 10 - <= 200 m²/g
    Skeletal density:
    ca. 1.619 g/cm³

    Surface functionalisation / treatment

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


    Constituent 1
    Reference substance name:
    methyl 2-[3,6-bis(ethylamino)-2,7-dimethyl-1H-xanthen-9-yl]benzoate;molybdatesilicate
    Molecular formula:
    C54H58N4O6.MoO4 + C54H58N4O6.SiO3
    IUPAC Name:
    methyl 2-[3,6-bis(ethylamino)-2,7-dimethyl-1H-xanthen-9-yl]benzoate;molybdatesilicate
    Constituent 2
    Chemical structure
    Reference substance name:
    [9-(2-carboxyphenyl)-6-ethylamino-2,7-dimethylxanthen-3-ylidene]-ethylazanium
    CAS Number:
    82181-99-5
    Molecular formula:
    C26 H27 N2 O3
    IUPAC Name:
    [9-(2-carboxyphenyl)-6-ethylamino-2,7-dimethylxanthen-3-ylidene]-ethylazanium
    Constituent 3
    Reference substance name:
    water soluble matter
    Molecular formula:
    not applicable
    IUPAC Name:
    water soluble matter
    State Form:
    solid: particulate/powder


    Constituent 1
    Chemical structure
    Reference substance name:
    Xanthylium, 3,6-bis(ethylamino)-9-[2-(methoxycarbonyl)phenyl]-2,7-dimethyl-, molybdatesilicate
    EC Number:
    278-270-6
    EC Name:
    Xanthylium, 3,6-bis(ethylamino)-9-[2-(methoxycarbonyl)phenyl]-2,7-dimethyl-, molybdatesilicate
    CAS Number:
    75627-12-2
    Molecular formula:
    C54H58N4O6.MoO4 + C54H58N4O6.SiO3
    IUPAC Name:
    3,6-bis(ethylamino)-9-[2-(methoxycarbonyl)phenyl]-2,7-dimethyl-10λ⁴-xanthen-10-ylium dioxomolybdenumbis(olate) silicate

    Composition(s) generated upon use

    Other types of composition(s)