2-(Benzenesulfonyl)benzene-1-sulfonyl azide--3,3'-oxybis(triaza-1,2-dien-2-ium-1-ide) (1/1)

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  • Identifiers

    CAS number
    7456-68-0

    Molecular formula
    C12H9N9O5S2

    SMILES
    C1=CC=C(C=C1)S(=O)(=O)C2=CC=CC=C2S(=O)(=O)N=[N+]=[N-].[N-]=[N+]=NON=[N+]=[N-]

    Safety labels

  • Odor profile

    Fragrance
    Odorless 67.92%
    Pungent 32.27%
    Sulfurous 29.97%
    Burnt 27.88%
    Cooked 25.09%
    Garlic 21.68%
    Bitter 21.22%
    Roasted 20.22%
    Alliaceous 19.09%
    Radish 18.67%

     

    Flavor
    Bitter 85.23%
    Odorless 24.57%
    Nitrile 20.27%
    Taco 17.85%
    Bread crust 17.73%
    Moth ball 17.45%
    Very strong 17.45%
    Roasted peanuts 17.31%
    Indole 17.21%
    Oriental 17.11%

     

    Odor impact est.
    Odorless

  • Properties

    pKa est.
    5.82 (weak acid)

    Molecular weight
    423.4 g/mol

    Flash point

    • 247.45 ˚C est.

  • Synonyms

    • 7456-68-0
    • 2-(Benzenesulfonyl)benzene-1-sulfonyl azide--3,3'-oxybis(triaza-1,2-dien-2-ium-1-ide) (1/1)
    • DTXSID00700250
    • CDCDGSIRMOENLI-UHFFFAOYSA-N
    • NS00020881
    • 7456-68-0

  • Applications

    For 2-(Benzenesulfonyl)benzene-1-sulfonyl azide--3,3'-oxybis(triaza-1,2-dien-2-ium-1-ide) (1/1) (CAS 7456-68-0), this compound is typically encountered as a reactive azide-containing reagent and synthetic intermediate in organic synthesis. It may be used to introduce azido functionality into organic substrates, enabling subsequent transformations such as click chemistry and heterocycle formation. In practice, it is commonly evaluated for: (1) synthesis of azide-bearing intermediates in pharmaceutical and fine-chemical development; (2) functionalization and crosslinking in polymers, coatings, and adhesives; (3) surface modification and immobilization strategies via azide-alkyne cycloadditions; (4) material and sensor development where azide groups enable grafting or labeling; (5) exploratory azide-transfer or azidation strategies in organic synthesis.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.03
    methanol 1.29
    isopropanol 0.5
    water 0.01
    ethyl acetate 10.05
    n-propanol 0.87
    acetone 13.18
    n-butanol 0.67
    acetonitrile 8.81
    DMF 70.99
    toluene 5.05
    isobutanol 0.49
    1,4-dioxane 13.11
    methyl acetate 13.68
    THF 28.78
    2-butanone 20.61
    n-pentanol 0.64
    sec-butanol 0.97
    n-hexane 0.02
    ethylene glycol 0.49
    NMP 102.88
    cyclohexane 0.2
    DMSO 20.41
    n-butyl acetate 7.5
    n-octanol 1.1
    chloroform 9.59
    n-propyl acetate 5.54
    acetic acid 3.46
    dichloromethane 12.51
    cyclohexanone 37.58
    propylene glycol 0.54
    isopropyl acetate 6.76
    DMAc 98.7
    2-ethoxyethanol 3.87
    isopentanol 0.64
    n-heptane 0.08
    ethyl formate 5.62
    1,2-dichloroethane 10.01
    n-hexanol 1.22
    2-methoxyethanol 8.58
    isobutyl acetate 2.02
    tetrachloromethane 0.5
    n-pentyl acetate 6.27
    transcutol 13.47
    n-heptanol 1.22
    ethylbenzene 1.76
    MIBK 4.71
    2-propoxyethanol 7.93
    tert-butanol 0.76
    MTBE 1.89
    2-butoxyethanol 5.1
    propionic acid 3.3
    o-xylene 3.22
    formic acid 2.44
    diethyl ether 2.62
    m-xylene 2.23
    p-xylene 2.09
    chlorobenzene 7.32
    dimethyl carbonate 11.16
    n-octane 0.06
    formamide 11.21
    cyclopentanone 53.82
    2-pentanone 10.14
    anisole 6.41
    cyclopentyl methyl ether 7.0
    gamma-butyrolactone 48.28
    1-methoxy-2-propanol 5.56
    pyridine 31.11
    3-pentanone 12.62
    furfural 41.71
    n-dodecane 0.08
    diethylene glycol 5.49
    diisopropyl ether 0.65
    tert-amyl alcohol 1.32
    acetylacetone 25.92
    n-hexadecane 0.1
    acetophenone 12.87
    methyl propionate 13.18
    isopentyl acetate 5.48
    trichloroethylene 32.13
    n-nonanol 1.37
    cyclohexanol 1.74
    benzyl alcohol 4.71
    2-ethylhexanol 1.33
    isooctanol 0.93
    dipropyl ether 2.22
    1,2-dichlorobenzene 7.27
    ethyl lactate 4.3
    propylene carbonate 16.1
    n-methylformamide 16.81
    2-pentanol 0.54
    n-pentane 0.03
    1-propoxy-2-propanol 5.64
    1-methoxy-2-propyl acetate 12.8
    2-(2-methoxypropoxy) propanol 7.59
    mesitylene 1.25
    ε-caprolactone 25.09
    p-cymene 1.87
    epichlorohydrin 34.82
    1,1,1-trichloroethane 4.11
    2-aminoethanol 0.97
    morpholine-4-carbaldehyde 56.39
    sulfolane 50.22
    2,2,4-trimethylpentane 0.04
    2-methyltetrahydrofuran 12.02
    n-hexyl acetate 6.23
    isooctane 0.02
    2-(2-butoxyethoxy)ethanol 7.73
    sec-butyl acetate 3.88
    tert-butyl acetate 6.76
    decalin 0.11
    glycerin 1.87
    diglyme 17.48
    acrylic acid 4.8
    isopropyl myristate 2.97
    n-butyric acid 3.79
    acetyl acetate 9.47
    di(2-ethylhexyl) phthalate 3.62
    ethyl propionate 6.25
    nitromethane 27.62
    1,2-diethoxyethane 6.32
    benzonitrile 11.73
    trioctyl phosphate 2.3
    1-bromopropane 2.25
    gamma-valerolactone 61.88
    n-decanol 1.09
    triethyl phosphate 3.81
    4-methyl-2-pentanol 0.42
    propionitrile 6.02
    vinylene carbonate 16.54
    1,1,2-trichlorotrifluoroethane 22.0
    DMS 11.3
    cumene 0.97
    2-octanol 0.89
    2-hexanone 6.73
    octyl acetate 3.96
    limonene 2.51
    1,2-dimethoxyethane 12.55
    ethyl orthosilicate 2.86
    tributyl phosphate 2.7
    diacetone alcohol 8.56
    N,N-dimethylaniline 4.42
    acrylonitrile 14.62
    aniline 6.52
    1,3-propanediol 1.42
    bromobenzene 6.55
    dibromomethane 5.37
    1,1,2,2-tetrachloroethane 16.82
    2-methyl-cyclohexyl acetate 5.93
    tetrabutyl urea 6.41
    diisobutyl methanol 0.83
    2-phenylethanol 6.82
    styrene 2.71
    dioctyl adipate 5.19
    dimethyl sulfate 21.7
    ethyl butyrate 6.53
    methyl lactate 8.8
    butyl lactate 5.5
    diethyl carbonate 4.56
    propanediol butyl ether 3.6
    triethyl orthoformate 4.53
    p-tert-butyltoluene 1.62
    methyl 4-tert-butylbenzoate 9.73
    morpholine 15.01
    tert-butylamine 0.38
    n-dodecanol 0.86
    dimethoxymethane 17.86
    ethylene carbonate 10.4
    cyrene 12.58
    2-ethoxyethyl acetate 10.49
    2-ethylhexyl acetate 4.86
    1,2,4-trichlorobenzene 10.73
    4-methylpyridine 23.7
    dibutyl ether 1.87
    2,6-dimethyl-4-heptanol 0.83
    DEF 24.9
    dimethyl isosorbide 20.76
    tetrachloroethylene 8.76
    eugenol 9.67
    triacetin 9.49
    span 80 5.7
    1,4-butanediol 0.51
    1,1-dichloroethane 4.39
    2-methyl-1-pentanol 0.81
    methyl formate 13.82
    2-methyl-1-butanol 0.73
    n-decane 0.12
    butyronitrile 4.0
    3,7-dimethyl-1-octanol 1.22
    1-chlorooctane 0.82
    1-chlorotetradecane 0.43
    n-nonane 0.08
    undecane 0.09
    tert-butylcyclohexane 0.06
    cyclooctane 0.06
    cyclopentanol 2.57
    tetrahydropyran 8.37
    tert-amyl methyl ether 2.48
    2,5,8-trioxanonane 14.16
    1-hexene 0.25
    2-isopropoxyethanol 2.7
    2,2,2-trifluoroethanol 2.67
    methyl butyrate 8.27

    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