2,7-Naphthalenedisulfonic acid, 5-[[4-chloro-6-(methylphenylamino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[2-(2-sulfophenyl)diazenyl]-

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  • Identifiers

    CAS number
    69571-19-3

    Molecular formula
    C26H20ClN7O10S3

    SMILES
    CN(C1=CC=CC=C1)C2=NC(=NC(=N2)NC3=C4C(=CC(=C3)S(=O)(=O)O)C=C(C(=C4O)N=NC5=CC=CC=C5S(=O)(=O)O)S(=O)(=O)O)Cl

  • Odor profile

    Fragrance
    Odorless 83.2%
    Cooked 22.84%
    Savory 20.61%
    Bitter 17.26%
    Meaty 15.32%
    Roasted 15.26%
    Grape 14.62%
    Burnt 13.91%
    Milky 13.61%
    Clean 12.43%

     

    Flavor
    Bitter 94.07%
    Odorless 34.19%
    Bland 24.26%
    Nitrile 19.31%
    Cedarleaf 17.62%
    Very strong 17.48%
    Sweet-like 17.47%
    Bread crust 17.17%
    Taco 17.15%
    Indole 17.12%

     

    Odor impact est.
    Odorless

  • Properties

    XLogP3-AA
    4.3

    pKa est.
    3.59 (weak acid)

    Molecular weight
    722.1 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    2201°C

    Flash point

    • 410.98 ˚C est.

  • Synonyms

    • 69571-19-3
    • 2,7-Naphthalenedisulfonic acid, 5-((4-chloro-6-(methylphenylamino)-1,3,5-triazin-2-yl)amino)-4-hydroxy-3-((2-sulfophenyl)azo)-
    • DTXSID80867890
    • 2,7-Naphthalenedisulfonic acid, 5-((4-chloro-6-(methylphenylamino)-1,3,5-triazin-2-yl)amino)-4-hydroxy-3-(2-(2-sulfophenyl)diazenyl)-
    • 2,7-Naphthalenedisulfonic acid, 5-[[4-chloro-6-(methylphenylamino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[2-(2-sulfophenyl)diazenyl]-
    • 2,7-Naphthalenedisulfonic acid, 5-[[4-chloro-6-(methylphenylamino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(2-sulfophenyl)azo]-
    • CW2FFH2A74
    • SCHEMBL13474936
    • DTXCID70816039
    • RSCFBSYAPQOCQT-UHFFFAOYSA-N
    • 5-[[4-Chloro-6-(methylphenylamino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[2-(2-sulfophenyl)diazenyl]-2,7-naphthalenedisulfonic acid

  • Applications

    2,7-Naphthalenedisulfonic acid, 5-[[4-chloro-6-(methylphenylamino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[2-(2-sulfophenyl)diazenyl]- (CAS 69571-19-3) is a water-soluble azo dye intermediate with a sulfonated naphthalene core and a reactive triazine linkage. In practice, it is commonly used as a precursor for reactive dyes in textile chemistry, enabling covalent attachment to cellulose fibers; it also serves as a dye component for water-based printing inks and coating formulations, providing color in consumer and industrial coatings. Additionally, the compound can function as a colorant intermediate for polymers and synthetic fibers, contributing color to plastics and engineered textiles. It finds use as a colorant in paper and papermaking formulations, and may be evaluated for inclusion in other colorant systems in coatings and inks, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.47
    methanol 1.77
    isopropanol 0.74
    water 0.0
    ethyl acetate 0.71
    n-propanol 1.12
    acetone 3.13
    n-butanol 0.57
    acetonitrile 0.61
    DMF 15.5
    toluene 0.15
    isobutanol 0.43
    1,4-dioxane 3.16
    methyl acetate 1.58
    THF 9.73
    2-butanone 4.57
    n-pentanol 0.27
    sec-butanol 0.67
    n-hexane 0.0
    ethylene glycol 0.77
    NMP 16.01
    cyclohexane 0.01
    DMSO 11.56
    n-butyl acetate 0.62
    n-octanol 0.2
    chloroform 0.81
    n-propyl acetate 0.56
    acetic acid 2.77
    dichloromethane 0.79
    cyclohexanone 3.72
    propylene glycol 1.34
    isopropyl acetate 0.35
    DMAc 18.35
    2-ethoxyethanol 2.38
    isopentanol 0.26
    n-heptane 0.01
    ethyl formate 1.3
    1,2-dichloroethane 0.48
    n-hexanol 0.16
    2-methoxyethanol 7.04
    isobutyl acetate 0.17
    tetrachloromethane 0.04
    n-pentyl acetate 0.64
    transcutol 3.21
    n-heptanol 0.22
    ethylbenzene 0.04
    MIBK 0.34
    2-propoxyethanol 2.47
    tert-butanol 0.33
    MTBE 0.23
    2-butoxyethanol 1.84
    propionic acid 1.5
    o-xylene 0.06
    formic acid 2.8
    diethyl ether 0.37
    m-xylene 0.04
    p-xylene 0.05
    chlorobenzene 0.14
    dimethyl carbonate 0.84
    n-octane 0.0
    formamide 4.41
    cyclopentanone 9.05
    2-pentanone 1.33
    anisole 0.23
    cyclopentyl methyl ether 0.54
    gamma-butyrolactone 7.91
    1-methoxy-2-propanol 3.32
    pyridine 3.72
    3-pentanone 0.94
    furfural 5.84
    n-dodecane 0.0
    diethylene glycol 1.92
    diisopropyl ether 0.03
    tert-amyl alcohol 0.35
    acetylacetone 1.6
    n-hexadecane 0.01
    acetophenone 0.47
    methyl propionate 1.23
    isopentyl acetate 0.34
    trichloroethylene 1.24
    n-nonanol 0.23
    cyclohexanol 0.32
    benzyl alcohol 0.42
    2-ethylhexanol 0.08
    isooctanol 0.12
    dipropyl ether 0.24
    1,2-dichlorobenzene 0.08
    ethyl lactate 0.55
    propylene carbonate 1.65
    n-methylformamide 5.68
    2-pentanol 0.19
    n-pentane 0.01
    1-propoxy-2-propanol 1.42
    1-methoxy-2-propyl acetate 0.99
    2-(2-methoxypropoxy) propanol 1.53
    mesitylene 0.02
    ε-caprolactone 2.89
    p-cymene 0.03
    epichlorohydrin 5.24
    1,1,1-trichloroethane 0.16
    2-aminoethanol 1.46
    morpholine-4-carbaldehyde 11.78
    sulfolane 9.27
    2,2,4-trimethylpentane 0.0
    2-methyltetrahydrofuran 1.89
    n-hexyl acetate 0.55
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 2.12
    sec-butyl acetate 0.2
    tert-butyl acetate 0.25
    decalin 0.0
    glycerin 2.88
    diglyme 3.84
    acrylic acid 1.91
    isopropyl myristate 0.17
    n-butyric acid 1.21
    acetyl acetate 0.32
    di(2-ethylhexyl) phthalate 0.27
    ethyl propionate 0.39
    nitromethane 6.02
    1,2-diethoxyethane 0.78
    benzonitrile 0.43
    trioctyl phosphate 0.2
    1-bromopropane 0.2
    gamma-valerolactone 18.61
    n-decanol 0.16
    triethyl phosphate 0.15
    4-methyl-2-pentanol 0.06
    propionitrile 0.7
    vinylene carbonate 1.53
    1,1,2-trichlorotrifluoroethane 4.9
    DMS 0.49
    cumene 0.02
    2-octanol 0.14
    2-hexanone 0.84
    octyl acetate 0.36
    limonene 0.04
    1,2-dimethoxyethane 4.02
    ethyl orthosilicate 0.12
    tributyl phosphate 0.2
    diacetone alcohol 0.88
    N,N-dimethylaniline 0.13
    acrylonitrile 1.46
    aniline 0.45
    1,3-propanediol 1.95
    bromobenzene 0.08
    dibromomethane 0.34
    1,1,2,2-tetrachloroethane 0.93
    2-methyl-cyclohexyl acetate 0.23
    tetrabutyl urea 0.57
    diisobutyl methanol 0.03
    2-phenylethanol 0.34
    styrene 0.05
    dioctyl adipate 0.39
    dimethyl sulfate 1.43
    ethyl butyrate 0.4
    methyl lactate 1.67
    butyl lactate 0.9
    diethyl carbonate 0.23
    propanediol butyl ether 1.49
    triethyl orthoformate 0.32
    p-tert-butyltoluene 0.02
    methyl 4-tert-butylbenzoate 0.55
    morpholine 5.08
    tert-butylamine 0.08
    n-dodecanol 0.1
    dimethoxymethane 3.65
    ethylene carbonate 1.06
    cyrene 1.83
    2-ethoxyethyl acetate 1.39
    2-ethylhexyl acetate 0.25
    1,2,4-trichlorobenzene 0.17
    4-methylpyridine 1.6
    dibutyl ether 0.2
    2,6-dimethyl-4-heptanol 0.03
    DEF 1.85
    dimethyl isosorbide 1.82
    tetrachloroethylene 0.43
    eugenol 0.81
    triacetin 0.7
    span 80 1.13
    1,4-butanediol 0.46
    1,1-dichloroethane 0.34
    2-methyl-1-pentanol 0.15
    methyl formate 3.81
    2-methyl-1-butanol 0.33
    n-decane 0.01
    butyronitrile 0.56
    3,7-dimethyl-1-octanol 0.09
    1-chlorooctane 0.05
    1-chlorotetradecane 0.02
    n-nonane 0.01
    undecane 0.01
    tert-butylcyclohexane 0.0
    cyclooctane 0.0
    cyclopentanol 0.93
    tetrahydropyran 1.4
    tert-amyl methyl ether 0.2
    2,5,8-trioxanonane 2.56
    1-hexene 0.03
    2-isopropoxyethanol 0.91
    2,2,2-trifluoroethanol 0.84
    methyl butyrate 0.73

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction