4,4'-((3,3'-Dichloro(1,1'-biphenyl)-4,4'-diyl)bis(diazene-2,1-diyl))bis(5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one)

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  • Identifiers

    CAS number
    3520-72-7

    Molecular formula
    C32H24Cl2N8O2

    SMILES
    CC1=NN(C(=O)C1N=NC2=C(C=C(C=C2)C3=CC(=C(C=C3)N=NC4C(=NN(C4=O)C5=CC=CC=C5)C)Cl)Cl)C6=CC=CC=C6

    Safety labels

  • Odor profile

    Fragrance
    Odorless 43.0%
    Roasted 29.62%
    Cooked 28.74%
    Fruity 26.96%
    Meaty 25.78%
    Burnt 24.9%
    Savory 22.49%
    Bitter 22.19%
    Grape 20.81%
    Nutty 20.32%

     

    Flavor
    Bitter 91.02%
    Odorless 28.24%
    Nitrile 19.25%
    Very strong 18.63%
    Indole 18.21%
    Bread crust 18.17%
    Taco 18.0%
    Cedarleaf 17.98%
    Cereal 17.92%
    Sweet-like 17.87%

     

    Odor impact est.
    Odorless

  • Properties

    XLogP3-AA
    7.6

    pKa est.
    4.54 (weak acid)

    Molecular weight
    623.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    880°C

    Flash point

    • 287.73 ˚C est.

  • Synonyms

    • RefChem:1069225
    • DTXCID20809870
    • DTXSID20859815
    • 4,4'-((3,3'-Dichloro(1,1'-biphenyl)-4,4'-diyl)bis(diazene-2,1-diyl))bis(5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one)
    • 3520-72-7
    • 4,4'-((3,3'-Dichloro-[1,1'-biphenyl]-4,4'-diyl)bis(diazene-2,1-diyl))bis(3-methyl-1-phenyl-1H-pyrazol-5(4H)-one)
    • Pigment Orange 13 (Technical Grade)
    • C32H24Cl2N8O2
    • orb1306542
    • orb3025876
    • SCHEMBL2641824
    • SCHEMBL2641828
    • SCHEMBL29350167
    • SCHEMBL30078720
    • HKYYDLYCGBDWSB-UHFFFAOYSA-N
    • HY-D0279
    • Pigment Orange 13, Technical grade
    • AKOS025311122
    • AKOS030627473
    • FP40368
    • CS-0010182
    • P0596
    • H10760
    • 4-[2-chloro-4-[3-chloro-4-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)azo]phenyl]phenyl]azo-5-methyl-2-phenyl-4H-pyrazol-3-one
    • 3520-72-7

  • Applications

    Chemical name: 4,4'-((3,3'-Dichloro(1,1'-biphenyl)-4,4'-diyl)bis(diazene-2,1-diyl))bis(5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one); CAS number: 3520-72-7. This compound is typically used as a colorant and pigment precursor in real-world applications such as industrial coatings, printing inks, and plastics, where it provides vivid, durable coloration and contributes to color fastness; it is commonly evaluated as an intermediate in the synthesis of diarylide azo pigments and may be employed in specialty coatings or polymer formulations within regulatory and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.27
    methanol 0.23
    isopropanol 0.2
    water 0.0
    ethyl acetate 3.19
    n-propanol 0.4
    acetone 2.58
    n-butanol 0.38
    acetonitrile 1.18
    DMF 7.12
    toluene 4.06
    isobutanol 0.3
    1,4-dioxane 4.82
    methyl acetate 3.33
    THF 13.98
    2-butanone 5.07
    n-pentanol 0.48
    sec-butanol 0.44
    n-hexane 0.04
    ethylene glycol 0.11
    NMP 21.08
    cyclohexane 0.06
    DMSO 3.42
    n-butyl acetate 2.69
    n-octanol 0.39
    chloroform 42.19
    n-propyl acetate 2.75
    acetic acid 2.0
    dichloromethane 34.77
    cyclohexanone 11.47
    propylene glycol 0.26
    isopropyl acetate 1.86
    DMAc 16.15
    2-ethoxyethanol 1.71
    isopentanol 0.36
    n-heptane 0.05
    ethyl formate 2.52
    1,2-dichloroethane 8.66
    n-hexanol 0.4
    2-methoxyethanol 1.76
    isobutyl acetate 1.54
    tetrachloromethane 1.41
    n-pentyl acetate 2.91
    transcutol 3.91
    n-heptanol 0.44
    ethylbenzene 1.46
    MIBK 1.54
    2-propoxyethanol 2.7
    tert-butanol 0.22
    MTBE 0.72
    2-butoxyethanol 2.09
    propionic acid 1.53
    o-xylene 1.57
    formic acid 0.74
    diethyl ether 0.75
    m-xylene 1.35
    p-xylene 1.81
    chlorobenzene 8.72
    dimethyl carbonate 3.26
    n-octane 0.03
    formamide 1.21
    cyclopentanone 16.2
    2-pentanone 3.13
    anisole 3.61
    cyclopentyl methyl ether 3.3
    gamma-butyrolactone 17.78
    1-methoxy-2-propanol 1.65
    pyridine 17.53
    3-pentanone 3.1
    furfural 23.97
    n-dodecane 0.03
    diethylene glycol 1.2
    diisopropyl ether 0.18
    tert-amyl alcohol 0.48
    acetylacetone 6.47
    n-hexadecane 0.04
    acetophenone 6.01
    methyl propionate 3.79
    isopentyl acetate 2.19
    trichloroethylene 49.55
    n-nonanol 0.52
    cyclohexanol 0.85
    benzyl alcohol 3.2
    2-ethylhexanol 0.48
    isooctanol 0.41
    dipropyl ether 0.96
    1,2-dichlorobenzene 7.8
    ethyl lactate 2.07
    propylene carbonate 9.19
    n-methylformamide 2.54
    2-pentanol 0.29
    n-pentane 0.03
    1-propoxy-2-propanol 2.27
    1-methoxy-2-propyl acetate 4.72
    2-(2-methoxypropoxy) propanol 3.45
    mesitylene 0.45
    ε-caprolactone 11.41
    p-cymene 0.64
    epichlorohydrin 24.46
    1,1,1-trichloroethane 7.09
    2-aminoethanol 0.28
    morpholine-4-carbaldehyde 15.3
    sulfolane 21.8
    2,2,4-trimethylpentane 0.04
    2-methyltetrahydrofuran 5.73
    n-hexyl acetate 2.52
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 3.07
    sec-butyl acetate 1.8
    tert-butyl acetate 1.62
    decalin 0.07
    glycerin 0.65
    diglyme 6.45
    acrylic acid 2.31
    isopropyl myristate 1.02
    n-butyric acid 2.16
    acetyl acetate 2.94
    di(2-ethylhexyl) phthalate 1.75
    ethyl propionate 2.83
    nitromethane 7.49
    1,2-diethoxyethane 2.39
    benzonitrile 5.83
    trioctyl phosphate 0.91
    1-bromopropane 2.81
    gamma-valerolactone 27.85
    n-decanol 0.38
    triethyl phosphate 1.83
    4-methyl-2-pentanol 0.2
    propionitrile 1.35
    vinylene carbonate 11.46
    1,1,2-trichlorotrifluoroethane 21.76
    DMS 4.15
    cumene 0.66
    2-octanol 0.35
    2-hexanone 3.18
    octyl acetate 1.44
    limonene 0.78
    1,2-dimethoxyethane 4.55
    ethyl orthosilicate 1.45
    tributyl phosphate 1.17
    diacetone alcohol 2.24
    N,N-dimethylaniline 2.24
    acrylonitrile 3.0
    aniline 3.69
    1,3-propanediol 0.43
    bromobenzene 10.73
    dibromomethane 12.66
    1,1,2,2-tetrachloroethane 26.62
    2-methyl-cyclohexyl acetate 2.59
    tetrabutyl urea 2.11
    diisobutyl methanol 0.27
    2-phenylethanol 2.62
    styrene 2.08
    dioctyl adipate 2.47
    dimethyl sulfate 7.6
    ethyl butyrate 2.74
    methyl lactate 2.62
    butyl lactate 2.66
    diethyl carbonate 1.93
    propanediol butyl ether 1.56
    triethyl orthoformate 2.37
    p-tert-butyltoluene 0.53
    methyl 4-tert-butylbenzoate 3.7
    morpholine 5.52
    tert-butylamine 0.11
    n-dodecanol 0.28
    dimethoxymethane 3.51
    ethylene carbonate 6.42
    cyrene 6.8
    2-ethoxyethyl acetate 5.15
    2-ethylhexyl acetate 2.17
    1,2,4-trichlorobenzene 12.62
    4-methylpyridine 12.45
    dibutyl ether 0.86
    2,6-dimethyl-4-heptanol 0.27
    DEF 5.26
    dimethyl isosorbide 7.97
    tetrachloroethylene 12.51
    eugenol 4.22
    triacetin 4.55
    span 80 2.93
    1,4-butanediol 0.27
    1,1-dichloroethane 6.46
    2-methyl-1-pentanol 0.58
    methyl formate 3.04
    2-methyl-1-butanol 0.49
    n-decane 0.06
    butyronitrile 1.3
    3,7-dimethyl-1-octanol 0.43
    1-chlorooctane 0.44
    1-chlorotetradecane 0.18
    n-nonane 0.04
    undecane 0.04
    tert-butylcyclohexane 0.05
    cyclooctane 0.03
    cyclopentanol 1.17
    tetrahydropyran 3.5
    tert-amyl methyl ether 1.01
    2,5,8-trioxanonane 4.82
    1-hexene 0.31
    2-isopropoxyethanol 1.43
    2,2,2-trifluoroethanol 1.33
    methyl butyrate 3.93

    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