tert-Butylphenyl imidazolylphenyl sulfonamide

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  • Identifiers

    CAS number
    945526-43-2

    Molecular formula
    C19H21N3O2S

    SMILES
    CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)N3C=CN=C3

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 40.81%
    Fruity 36.74%
    Cooked 26.23%
    Fatty 24.67%
    Grape 23.04%
    Roasted 21.82%
    Savory 21.1%
    Fresh 19.53%
    Animal 19.51%
    Green 19.37%

     

    Flavor
    Bitter 81.08%
    Nitrile 19.43%
    Odorless 19.17%
    Cedarleaf 18.59%
    Very strong 18.2%
    Broom 18.15%
    Heather 18.07%
    Indole 17.96%
    Genet 17.93%
    Lovage 17.92%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.9

    pKa est.
    6.67 (neutral)

    Molecular weight
    355.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    815°C

    Flash point

    • 270.02 ˚C est.

  • Synonyms

    • ISCK03
    • 945526-43-2
    • tert-Butylphenyl imidazolylphenyl sulfonamide
    • Whiteplex-IN
    • ISCK-03
    • t-Butylphenyl imidazolylphenyl sulfonamide
    • ISCK 03
    • 3028H7W568
    • DTXSID70241524
    • t-Butylphenyl imidazolylphenyl sulfonamide [INCI]
    • Benzenesulfonamide, 4-(1,1-dimethylethyl)-N-(4-(1H-imidazol-1-yl)phenyl)-
    • RefChem:896576
    • DTXCID00164015
    • 633-636-8
    • Stem-Cell Factor/c-Kit Inhibitor, ISCK03
    • 4-tert-butyl-N-(4-imidazol-1-ylphenyl)benzenesulfonamide
    • N-(4-(1H-Imidazol-1-yl)phenyl)-4-(tert-butyl)benzenesulfonamide
    • UNII-3028H7W568
    • MFCD12031591
    • ISCK03?
    • SCF/c-Kit Signaling Inhibitor
    • orb1304190
    • SCHEMBL5318665
    • Stem-Cell Factor/c-Kit Inhibitor
    • HMS3229P07
    • EX-A1323
    • s2070
    • AKOS032946705
    • CS-6336
    • ISCK03, >=98% (HPLC), solid
    • NCGC00388394-02
    • Stem-cell factor/c-kit inhibitor,isck03
    • AC-35800
    • BS-18270
    • DB-221537
    • HY-101443
    • C77268
    • Q27255893
    • 4-t-Butylphenyl-N-(4-imidazol-1-yl-phenyl)sulfonamide
    • (4-t-butylphenyl)-N-(4-imidazole-1-yl phenyl)sulfonamide
    • 4-tert-Butyl-N-[4-(1H-imidazol-1-yl)phenyl]benzene-1-sulfonamide
    • 4-(1,1-Dimethylethyl)-N-[4-(1H-imidazol-1-yl)phenyl]benzenesulfonamide
    • N-[4-(1H-imidazol-1-yl)phenyl]-4-(2-methyl-2-propanyl)benzenesulfonamide
    • 945526-43-2

  • Applications

    tert-Butylphenyl imidazolylphenyl sulfonamide (CAS 945526-43-2) is primarily used as an intermediate in organic synthesis, serving as a building block for specialty chemicals. In industrial manufacturing, it may be employed in the preparation of specialty polymers and coatings where its sulfonamide and imidazole functionalities provide reactive sites or catalytic activity. It is commonly evaluated for use in adhesive formulations as a reactive sulfonamide component, and in coating and ink systems as a functional additive or crosslinking agent. In research and development, it can act as a precursor for dye/pigment or pharmaceutical intermediates, and may be explored in advanced materials for electronics-related applications.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 29.2
    methanol 31.2
    isopropanol 14.31
    water 0.05
    ethyl acetate 58.06
    n-propanol 26.74
    acetone 119.39
    n-butanol 18.67
    acetonitrile 48.39
    DMF 426.57
    toluene 27.32
    isobutanol 13.76
    1,4-dioxane 62.63
    methyl acetate 76.18
    THF 226.2
    2-butanone 138.51
    n-pentanol 14.85
    sec-butanol 19.57
    n-hexane 0.26
    ethylene glycol 6.71
    NMP 325.1
    cyclohexane 0.8
    DMSO 192.86
    n-butyl acetate 30.7
    n-octanol 3.24
    chloroform 447.02
    n-propyl acetate 34.37
    acetic acid 55.31
    dichloromethane 352.2
    cyclohexanone 133.2
    propylene glycol 20.59
    isopropyl acetate 34.86
    DMAc 529.22
    2-ethoxyethanol 61.37
    isopentanol 13.7
    n-heptane 0.33
    ethyl formate 49.38
    1,2-dichloroethane 148.38
    n-hexanol 11.63
    2-methoxyethanol 104.7
    isobutyl acetate 16.92
    tetrachloromethane 9.95
    n-pentyl acetate 17.01
    transcutol 124.64
    n-heptanol 6.31
    ethylbenzene 7.26
    MIBK 32.63
    2-propoxyethanol 54.64
    tert-butanol 13.18
    MTBE 16.01
    2-butoxyethanol 29.11
    propionic acid 38.63
    o-xylene 11.02
    formic acid 39.26
    diethyl ether 22.5
    m-xylene 9.82
    p-xylene 10.2
    chlorobenzene 75.16
    dimethyl carbonate 58.95
    n-octane 0.13
    formamide 98.61
    cyclopentanone 230.35
    2-pentanone 77.93
    anisole 47.07
    cyclopentyl methyl ether 46.88
    gamma-butyrolactone 209.36
    1-methoxy-2-propanol 79.73
    pyridine 145.49
    3-pentanone 65.06
    furfural 210.16
    n-dodecane 0.12
    diethylene glycol 36.94
    diisopropyl ether 3.85
    tert-amyl alcohol 18.25
    acetylacetone 104.83
    n-hexadecane 0.15
    acetophenone 57.81
    methyl propionate 76.19
    isopentyl acetate 25.12
    trichloroethylene 486.84
    n-nonanol 3.64
    cyclohexanol 17.32
    benzyl alcohol 44.66
    2-ethylhexanol 7.04
    isooctanol 5.34
    dipropyl ether 9.66
    1,2-dichlorobenzene 61.08
    ethyl lactate 28.89
    propylene carbonate 103.91
    n-methylformamide 135.79
    2-pentanol 10.27
    n-pentane 0.37
    1-propoxy-2-propanol 36.24
    1-methoxy-2-propyl acetate 58.06
    2-(2-methoxypropoxy) propanol 36.16
    mesitylene 3.9
    ε-caprolactone 100.83
    p-cymene 4.9
    epichlorohydrin 307.15
    1,1,1-trichloroethane 80.35
    2-aminoethanol 21.51
    morpholine-4-carbaldehyde 218.8
    sulfolane 248.81
    2,2,4-trimethylpentane 0.41
    2-methyltetrahydrofuran 90.53
    n-hexyl acetate 16.77
    isooctane 0.2
    2-(2-butoxyethoxy)ethanol 41.49
    sec-butyl acetate 20.81
    tert-butyl acetate 31.75
    decalin 0.46
    glycerin 35.94
    diglyme 92.96
    acrylic acid 48.63
    isopropyl myristate 6.13
    n-butyric acid 47.87
    acetyl acetate 42.82
    di(2-ethylhexyl) phthalate 12.21
    ethyl propionate 31.12
    nitromethane 195.69
    1,2-diethoxyethane 28.33
    benzonitrile 54.49
    trioctyl phosphate 6.5
    1-bromopropane 40.76
    gamma-valerolactone 270.72
    n-decanol 2.72
    triethyl phosphate 15.88
    4-methyl-2-pentanol 6.01
    propionitrile 37.95
    vinylene carbonate 98.12
    1,1,2-trichlorotrifluoroethane 221.44
    DMS 36.34
    cumene 4.15
    2-octanol 3.12
    2-hexanone 40.89
    octyl acetate 9.25
    limonene 7.02
    1,2-dimethoxyethane 85.23
    ethyl orthosilicate 13.26
    tributyl phosphate 8.97
    diacetone alcohol 48.23
    N,N-dimethylaniline 26.1
    acrylonitrile 71.03
    aniline 51.47
    1,3-propanediol 27.11
    bromobenzene 65.55
    dibromomethane 151.73
    1,1,2,2-tetrachloroethane 332.05
    2-methyl-cyclohexyl acetate 23.58
    tetrabutyl urea 14.13
    diisobutyl methanol 3.68
    2-phenylethanol 33.71
    styrene 12.58
    dioctyl adipate 15.93
    dimethyl sulfate 125.17
    ethyl butyrate 26.49
    methyl lactate 60.04
    butyl lactate 21.94
    diethyl carbonate 20.32
    propanediol butyl ether 22.68
    triethyl orthoformate 19.56
    p-tert-butyltoluene 4.27
    methyl 4-tert-butylbenzoate 32.22
    morpholine 109.46
    tert-butylamine 5.37
    n-dodecanol 1.97
    dimethoxymethane 142.94
    ethylene carbonate 64.44
    cyrene 63.42
    2-ethoxyethyl acetate 37.41
    2-ethylhexyl acetate 20.13
    1,2,4-trichlorobenzene 88.55
    4-methylpyridine 133.66
    dibutyl ether 4.41
    2,6-dimethyl-4-heptanol 3.68
    DEF 108.15
    dimethyl isosorbide 76.34
    tetrachloroethylene 129.27
    eugenol 32.95
    triacetin 33.44
    span 80 24.41
    1,4-butanediol 11.61
    1,1-dichloroethane 126.69
    2-methyl-1-pentanol 12.88
    methyl formate 97.48
    2-methyl-1-butanol 15.9
    n-decane 0.22
    butyronitrile 35.07
    3,7-dimethyl-1-octanol 4.93
    1-chlorooctane 2.23
    1-chlorotetradecane 0.79
    n-nonane 0.18
    undecane 0.16
    tert-butylcyclohexane 0.35
    cyclooctane 0.21
    cyclopentanol 27.69
    tetrahydropyran 56.36
    tert-amyl methyl ether 17.68
    2,5,8-trioxanonane 61.1
    1-hexene 2.64
    2-isopropoxyethanol 34.13
    2,2,2-trifluoroethanol 32.33
    methyl butyrate 47.02

    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