2,3-Diaminodihydropyrazolo pyrazolone dimethosulfonate

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  • Identifiers

    CAS number
    857035-95-1

    Molecular formula
    C8H18N4O7S2

    SMILES
    CS(=O)(=O)O.CS(=O)(=O)O.C1CN2C(=C(C(=O)N2C1)N)N

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 83.13%
    Sulfurous 33.6%
    Pungent 23.35%
    Cooked 20.92%
    Roasted 20.79%
    Savory 19.21%
    Burnt 19.07%
    Sharp 16.68%
    Sour 16.37%
    Onion 16.33%

     

    Flavor
    Bitter 67.39%
    Odorless 33.3%
    Sulfur 26.0%
    Bland 25.33%
    Formyl 22.22%
    Mustard 21.07%
    Mousy 20.63%
    Rotten 20.52%
    Nitrile 20.25%
    Pungent 19.98%

     

    Odor impact est.
    Medium

  • Properties

    pKa est.
    7.63 (neutral)

    Molecular weight
    346.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    302°C

    Flash point

    • 148.02 ˚C est.

  • Synonyms

    • Imexine OBH
    • UNII-S409QAZ004
    • 857035-95-1
    • 2,3-Diaminodihydropyrazolo pyrazolone dimethosulfonate
    • S409QAZ004
    • DTXSID90235006
    • 1H,5H-Pyrazolo(1,2-a)pyrazol-1-one, 2,3-diamino-6,7-dihydro-, dimethanesulfonate
    • RefChem:81547
    • DTXCID50157497
    • 2,3-DIAMINODIHYDROPYRAZOLO PYRAZOLONE DIMETHOSULFONATE [INCI]
    • 469-500-8
    • 682-126-1
    • 2,3-Diamino-6,7-dihydropyrazolo[1,2-a]pyrazol-1(5H)-one dimethanesulfonate
    • starbld0005708
    • SCHEMBL979047
    • Q27288553
    • 2,3-diamino-6,7-dihydro-1H,5H-pyrazolo[1,2-a]pyrazol-1-one dimethane sulfonate
    • 2,3-diamino-6,7-dihydro-1H,5H-pyrazolo[1,2-a]pyrazol-1-one dimethane sulphonate
    • 2,3-Diamino-6,7-dihydro-1H,5H-pyrazolo[1,2-a]pyrazolone dimethanesulfonate
    • Methanesulfonic acid--2,3-diamino-6,7-dihydro-1H,5H-pyrazolo[1,2-a]pyrazol-1-one (2/1)
    • 1H,5H-PYRAZOLO(1,2-A)PYRAZOL-1-ONE, 2,3-DIAMINO-6,7-DIHYDRO-, METHANESULFONATE (1:2)
    • 857035-95-1

  • Applications

    2,3-Diaminodihydropyrazolo pyrazolone dimethosulfonate (CAS 857035-95-1) is principally used as a synthetic building block and intermediate for heterocyclic compounds in chemical research and production. It is commonly evaluated for pharmaceutical and agrochemical development as a scaffold to access diverse heterocyclic structures. The compound can function as a reactive intermediate in the synthesis of dyes and pigments and in coating and ink formulations, where the sulfonate group enhances water solubility and the amino groups enable covalent attachment. It may act as a ligand or catalyst-support precursor in metal-catalyzed processes and can serve as a chelating agent in specialty formulations. In polymer and coating applications, it is sometimes used as a crosslinking additive or functional additive in aqueous systems, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 167.9
    methanol 435.07
    isopropanol 97.19
    water 697.87
    ethyl acetate 36.96
    n-propanol 74.56
    acetone 236.04
    n-butanol 45.92
    acetonitrile 138.46
    DMF 725.91
    toluene 9.6
    isobutanol 45.27
    1,4-dioxane 120.94
    methyl acetate 64.88
    THF 136.98
    2-butanone 75.62
    n-pentanol 27.12
    sec-butanol 45.67
    n-hexane 3.92
    ethylene glycol 213.85
    NMP 263.98
    cyclohexane 5.64
    DMSO 401.16
    n-butyl acetate 16.17
    n-octanol 15.55
    chloroform 12.75
    n-propyl acetate 22.24
    acetic acid 145.67
    dichloromethane 20.63
    cyclohexanone 55.86
    propylene glycol 123.61
    isopropyl acetate 19.99
    DMAc 392.0
    2-ethoxyethanol 121.82
    isopentanol 29.25
    n-heptane 4.09
    ethyl formate 62.17
    1,2-dichloroethane 24.36
    n-hexanol 20.96
    2-methoxyethanol 310.26
    isobutyl acetate 12.38
    tetrachloromethane 4.34
    n-pentyl acetate 12.73
    transcutol 113.72
    n-heptanol 14.33
    ethylbenzene 5.58
    MIBK 24.46
    2-propoxyethanol 79.58
    tert-butanol 70.08
    MTBE 26.0
    2-butoxyethanol 43.19
    propionic acid 67.28
    o-xylene 10.76
    formic acid 299.88
    diethyl ether 39.75
    m-xylene 8.19
    p-xylene 7.76
    chlorobenzene 7.68
    dimethyl carbonate 63.9
    n-octane 1.66
    formamide 416.84
    cyclopentanone 88.65
    2-pentanone 46.93
    anisole 23.33
    cyclopentyl methyl ether 37.73
    gamma-butyrolactone 88.04
    1-methoxy-2-propanol 157.15
    pyridine 51.81
    3-pentanone 40.77
    furfural 113.88
    n-dodecane 1.47
    diethylene glycol 134.33
    diisopropyl ether 9.08
    tert-amyl alcohol 36.14
    acetylacetone 61.97
    n-hexadecane 1.52
    acetophenone 27.42
    methyl propionate 54.69
    isopentyl acetate 11.7
    trichloroethylene 22.84
    n-nonanol 13.95
    cyclohexanol 30.03
    benzyl alcohol 28.28
    2-ethylhexanol 10.21
    isooctanol 9.31
    dipropyl ether 19.93
    1,2-dichlorobenzene 7.46
    ethyl lactate 32.39
    propylene carbonate 40.65
    n-methylformamide 322.48
    2-pentanol 26.23
    n-pentane 5.5
    1-propoxy-2-propanol 46.84
    1-methoxy-2-propyl acetate 28.96
    2-(2-methoxypropoxy) propanol 45.06
    mesitylene 6.78
    ε-caprolactone 40.89
    p-cymene 5.79
    epichlorohydrin 69.01
    1,1,1-trichloroethane 10.41
    2-aminoethanol 182.47
    morpholine-4-carbaldehyde 258.27
    sulfolane 113.38
    2,2,4-trimethylpentane 1.72
    2-methyltetrahydrofuran 48.93
    n-hexyl acetate 15.96
    isooctane 1.35
    2-(2-butoxyethoxy)ethanol 55.13
    sec-butyl acetate 11.66
    tert-butyl acetate 18.64
    decalin 2.19
    glycerin 218.11
    diglyme 107.75
    acrylic acid 86.06
    isopropyl myristate 8.32
    n-butyric acid 43.53
    acetyl acetate 26.12
    di(2-ethylhexyl) phthalate 12.89
    ethyl propionate 24.15
    nitromethane 259.54
    1,2-diethoxyethane 27.92
    benzonitrile 20.55
    trioctyl phosphate 9.69
    1-bromopropane 10.42
    gamma-valerolactone 145.25
    n-decanol 11.06
    triethyl phosphate 13.53
    4-methyl-2-pentanol 13.38
    propionitrile 47.0
    vinylene carbonate 42.15
    1,1,2-trichlorotrifluoroethane 81.03
    DMS 22.34
    cumene 5.25
    2-octanol 8.44
    2-hexanone 25.1
    octyl acetate 12.21
    limonene 8.11
    1,2-dimethoxyethane 168.18
    ethyl orthosilicate 12.03
    tributyl phosphate 10.96
    diacetone alcohol 42.99
    N,N-dimethylaniline 26.92
    acrylonitrile 77.91
    aniline 27.83
    1,3-propanediol 136.19
    bromobenzene 4.8
    dibromomethane 11.67
    1,1,2,2-tetrachloroethane 21.24
    2-methyl-cyclohexyl acetate 13.7
    tetrabutyl urea 21.63
    diisobutyl methanol 7.38
    2-phenylethanol 20.05
    styrene 6.64
    dioctyl adipate 15.68
    dimethyl sulfate 92.08
    ethyl butyrate 16.92
    methyl lactate 78.58
    butyl lactate 19.79
    diethyl carbonate 14.48
    propanediol butyl ether 46.73
    triethyl orthoformate 15.61
    p-tert-butyltoluene 5.71
    methyl 4-tert-butylbenzoate 26.38
    morpholine 138.31
    tert-butylamine 37.66
    n-dodecanol 9.06
    dimethoxymethane 233.86
    ethylene carbonate 36.0
    cyrene 54.49
    2-ethoxyethyl acetate 21.28
    2-ethylhexyl acetate 9.29
    1,2,4-trichlorobenzene 9.65
    4-methylpyridine 42.53
    dibutyl ether 10.99
    2,6-dimethyl-4-heptanol 7.38
    DEF 86.85
    dimethyl isosorbide 57.04
    tetrachloroethylene 17.3
    eugenol 36.22
    triacetin 26.22
    span 80 33.5
    1,4-butanediol 59.68
    1,1-dichloroethane 15.64
    2-methyl-1-pentanol 16.32
    methyl formate 244.86
    2-methyl-1-butanol 28.67
    n-decane 2.1
    butyronitrile 35.6
    3,7-dimethyl-1-octanol 10.93
    1-chlorooctane 4.88
    1-chlorotetradecane 2.87
    n-nonane 2.06
    undecane 1.69
    tert-butylcyclohexane 1.8
    cyclooctane 2.27
    cyclopentanol 46.95
    tetrahydropyran 47.15
    tert-amyl methyl ether 20.73
    2,5,8-trioxanonane 89.92
    1-hexene 7.99
    2-isopropoxyethanol 54.47
    2,2,2-trifluoroethanol 104.04
    methyl butyrate 30.46

    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