4-Methylbenzyl 4,5-diamino pyrazole sulfate

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  • Identifiers

    CAS number
    173994-77-9

    Molecular formula
    C11H16N4O4S

    SMILES
    CC1=CC=C(C=C1)CN2C(=C(C=N2)N)N.OS(=O)(=O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 34.05%
    Animal 28.43%
    Burnt 26.93%
    Roasted 24.93%
    Bitter 23.71%
    Grape 23.02%
    Meaty 22.65%
    Fruity 22.41%
    Cooked 22.33%
    Sweet 21.73%

     

    Flavor
    Bitter 53.47%
    Mild 28.13%
    Roasted 24.67%
    Fruity 23.86%
    Very strong 22.71%
    Odorless 22.57%
    Indole 22.41%
    Scallion 21.49%
    Orange flower 21.47%
    Nitrile 21.39%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    3.04 (weak acid)

    Molecular weight
    300.34 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    487°C

    Flash point

    • 211.15 ˚C est.

  • Synonyms

    • 4-METHYLBENZYL 4,5-DIAMINO PYRAZOLE SULFATE
    • 173994-77-9
    • T60KLL74PP
    • UNII-T60KLL74PP
    • 4-Methylbenzyl 4,5-diamino pyrazole sulfate [INCI]
    • 1H-Pyrazole-4,5-diamine, 1-((4-methylphenyl)methyl)-, sulfate (2:1)
    • 2-[(4-methylphenyl)methyl]pyrazole-3,4-diamine;sulfuric acid
    • SCHEMBL2912572
    • Q27289709
    • 173994-77-9

  • Applications

    4-Methylbenzyl 4,5-diamino pyrazole sulfate is primarily used as an intermediate and building block in the synthesis of heterocyclic pyrazole derivatives, notably in pharmaceutical and agrochemical research. It is also evaluated as a precursor for dye and pigment chemistry due to its aromatic benzyl substituent and amino functionality. In industrial manufacturing and polymer science, it may serve as a functionalized amine salt used in coatings, inks, or plastic formulations to enable further derivatization or crosslinking reactions. In research settings, it is commonly explored as a flexible starting material for new heterocyclic scaffolds, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 91.64
    methanol 188.45
    isopropanol 41.43
    water 11.33
    ethyl acetate 81.37
    n-propanol 52.14
    acetone 150.19
    n-butanol 36.72
    acetonitrile 92.85
    DMF 262.29
    toluene 8.22
    isobutanol 23.41
    1,4-dioxane 100.65
    methyl acetate 80.39
    THF 233.61
    2-butanone 92.89
    n-pentanol 20.63
    sec-butanol 21.95
    n-hexane 0.19
    ethylene glycol 60.49
    NMP 71.02
    cyclohexane 0.48
    DMSO 326.9
    n-butyl acetate 22.53
    n-octanol 3.76
    chloroform 47.55
    n-propyl acetate 22.95
    acetic acid 218.93
    dichloromethane 52.71
    cyclohexanone 63.55
    propylene glycol 66.72
    isopropyl acetate 26.64
    DMAc 281.83
    2-ethoxyethanol 159.67
    isopentanol 26.88
    n-heptane 0.54
    ethyl formate 115.76
    1,2-dichloroethane 34.88
    n-hexanol 18.19
    2-methoxyethanol 367.95
    isobutyl acetate 12.74
    tetrachloromethane 6.22
    n-pentyl acetate 10.37
    transcutol 161.54
    n-heptanol 9.88
    ethylbenzene 3.06
    MIBK 21.86
    2-propoxyethanol 113.99
    tert-butanol 43.94
    MTBE 17.42
    2-butoxyethanol 44.95
    propionic acid 74.57
    o-xylene 5.73
    formic acid 319.6
    diethyl ether 16.14
    m-xylene 6.29
    p-xylene 5.79
    chlorobenzene 16.51
    dimethyl carbonate 55.54
    n-octane 0.28
    formamide 560.81
    cyclopentanone 153.44
    2-pentanone 53.52
    anisole 20.14
    cyclopentyl methyl ether 26.95
    gamma-butyrolactone 189.2
    1-methoxy-2-propanol 175.4
    pyridine 95.52
    3-pentanone 32.28
    furfural 204.26
    n-dodecane 0.22
    diethylene glycol 140.95
    diisopropyl ether 3.03
    tert-amyl alcohol 25.12
    acetylacetone 90.6
    n-hexadecane 0.25
    acetophenone 27.3
    methyl propionate 71.06
    isopentyl acetate 21.0
    trichloroethylene 94.93
    n-nonanol 4.49
    cyclohexanol 13.44
    benzyl alcohol 33.66
    2-ethylhexanol 8.61
    isooctanol 8.45
    dipropyl ether 7.7
    1,2-dichlorobenzene 14.87
    ethyl lactate 26.92
    propylene carbonate 79.83
    n-methylformamide 264.46
    2-pentanol 13.24
    n-pentane 0.29
    1-propoxy-2-propanol 50.32
    1-methoxy-2-propyl acetate 49.41
    2-(2-methoxypropoxy) propanol 33.2
    mesitylene 3.4
    ε-caprolactone 58.76
    p-cymene 3.66
    epichlorohydrin 194.89
    1,1,1-trichloroethane 21.46
    2-aminoethanol 100.59
    morpholine-4-carbaldehyde 143.46
    sulfolane 141.46
    2,2,4-trimethylpentane 0.39
    2-methyltetrahydrofuran 59.03
    n-hexyl acetate 9.23
    isooctane 0.29
    2-(2-butoxyethoxy)ethanol 53.53
    sec-butyl acetate 12.05
    tert-butyl acetate 24.85
    decalin 0.34
    glycerin 147.59
    diglyme 116.62
    acrylic acid 94.04
    isopropyl myristate 3.99
    n-butyric acid 109.83
    acetyl acetate 45.86
    di(2-ethylhexyl) phthalate 10.79
    ethyl propionate 20.31
    nitromethane 543.08
    1,2-diethoxyethane 28.02
    benzonitrile 29.77
    trioctyl phosphate 6.4
    1-bromopropane 6.89
    gamma-valerolactone 239.79
    n-decanol 3.72
    triethyl phosphate 12.4
    4-methyl-2-pentanol 8.73
    propionitrile 41.09
    vinylene carbonate 81.85
    1,1,2-trichlorotrifluoroethane 163.96
    DMS 20.02
    cumene 2.79
    2-octanol 3.82
    2-hexanone 21.79
    octyl acetate 6.07
    limonene 4.19
    1,2-dimethoxyethane 157.45
    ethyl orthosilicate 11.78
    tributyl phosphate 6.88
    diacetone alcohol 54.46
    N,N-dimethylaniline 11.33
    acrylonitrile 85.76
    aniline 30.81
    1,3-propanediol 140.78
    bromobenzene 11.55
    dibromomethane 21.03
    1,1,2,2-tetrachloroethane 61.36
    2-methyl-cyclohexyl acetate 14.03
    tetrabutyl urea 9.6
    diisobutyl methanol 5.52
    2-phenylethanol 29.24
    styrene 4.21
    dioctyl adipate 8.33
    dimethyl sulfate 82.54
    ethyl butyrate 18.16
    methyl lactate 70.17
    butyl lactate 17.25
    diethyl carbonate 15.34
    propanediol butyl ether 31.29
    triethyl orthoformate 15.75
    p-tert-butyltoluene 3.64
    methyl 4-tert-butylbenzoate 23.06
    morpholine 130.76
    tert-butylamine 12.07
    n-dodecanol 3.0
    dimethoxymethane 175.8
    ethylene carbonate 61.58
    cyrene 42.38
    2-ethoxyethyl acetate 29.69
    2-ethylhexyl acetate 13.16
    1,2,4-trichlorobenzene 21.2
    4-methylpyridine 55.44
    dibutyl ether 3.48
    2,6-dimethyl-4-heptanol 5.52
    DEF 61.0
    dimethyl isosorbide 58.07
    tetrachloroethylene 45.52
    eugenol 29.23
    triacetin 20.48
    span 80 23.03
    1,4-butanediol 43.17
    1,1-dichloroethane 20.79
    2-methyl-1-pentanol 18.36
    methyl formate 234.52
    2-methyl-1-butanol 21.06
    n-decane 0.31
    butyronitrile 36.45
    3,7-dimethyl-1-octanol 5.78
    1-chlorooctane 1.37
    1-chlorotetradecane 0.77
    n-nonane 0.23
    undecane 0.26
    tert-butylcyclohexane 0.35
    cyclooctane 0.23
    cyclopentanol 24.36
    tetrahydropyran 36.64
    tert-amyl methyl ether 11.71
    2,5,8-trioxanonane 70.81
    1-hexene 1.17
    2-isopropoxyethanol 62.49
    2,2,2-trifluoroethanol 111.34
    methyl butyrate 33.71

    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