Pyrosulfuryl chloride

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  • Identifiers

    CAS number
    7791-27-7

    Molecular formula
    Cl2O5S2

    SMILES
    O=S(=O)(OS(=O)(=O)Cl)Cl

  • Odor profile

    Fragrance
    Odorless 86.01%
    Sulfurous 22.02%
    Cooked 18.0%
    Pungent 17.74%
    Savory 16.12%
    Garlic 13.55%
    Burnt 13.51%
    Roasted 13.4%
    Onion 13.07%
    Alliaceous 12.42%

     

    Flavor
    Bitter 72.49%
    Odorless 32.37%
    Bland 23.88%
    Nitrile 19.79%
    Formyl 19.0%
    Rotten 18.63%
    Taco 18.21%
    Bread crust 18.02%
    Oriental 17.63%
    Urine 17.52%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    0.8

    pKa est.
    1.39 (strong acid)

    Molecular weight
    215.0 g/mol

    Melting point expt.

    • -37 °C

    Boiling point

    • 151 °C

    Flash point

    • 152.7 ˚C est.

  • Synonyms

    • PYROSULFURYL CHLORIDE
    • Disulfuryl chloride
    • Chlorosulfonic anhydride
    • 7791-27-7
    • Sulfur pentoxydichloride
    • UNII-DKB8YHP7JA
    • Disulfur pentoxydichloride
    • HSDB 1203
    • DKB8YHP7JA
    • UN1817
    • PYROSULFURYL CHLORIDE [MI]
    • CHLOROSULFONIC ANHYDRIDE [HSDB]
    • Disulfuryl dichloride
    • Pyrosulfurylchlorid
    • pyrosulfuryl dichloride
    • DTXSID90999111
    • NNTJKSMVNWGFTB-UHFFFAOYSA-N
    • PYROSULFURYL CHLORIDE (S2O5CL2)
    • Pyrosulfuryl chloride [UN1817] [Corrosive]
    • Q15632724

  • Applications

    Pyrosulfuryl chloride is mainly employed as a chlorinating and sulfonylating reagent in organic synthesis. It is used as an intermediate to prepare sulfonyl chloride derivatives and related sulfonamides, enabling routes to pharmaceuticals, agrochemicals, and specialty chemicals. In polymer and materials chemistry, it is used to introduce sulfonyl functionality or activate resins for further coupling, and in coatings, inks and adhesives to modify resin reactivity and cross-linking behavior. The reagent may be used to activate carboxylic acids or alcohols in selective synthetic sequences, often in pilot-scale processes, and its use is typically developed on a case-by-case basis under appropriate handling and regulatory considerations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 154.61
    methanol 228.12
    isopropanol 128.31
    water 75.03
    ethyl acetate 117.28
    n-propanol 108.61
    acetone 217.99
    n-butanol 88.84
    acetonitrile 96.86
    DMF 746.1
    toluene 51.69
    isobutanol 79.0
    1,4-dioxane 184.46
    methyl acetate 114.03
    THF 439.52
    2-butanone 153.17
    n-pentanol 55.64
    sec-butanol 106.35
    n-hexane 18.45
    ethylene glycol 89.99
    NMP 571.77
    cyclohexane 29.89
    DMSO 741.74
    n-butyl acetate 57.11
    n-octanol 46.92
    chloroform 112.86
    n-propyl acetate 71.75
    acetic acid 78.9
    dichloromethane 129.49
    cyclohexanone 141.39
    propylene glycol 78.24
    isopropyl acetate 98.85
    DMAc 708.21
    2-ethoxyethanol 154.25
    isopentanol 67.05
    n-heptane 19.13
    ethyl formate 88.39
    1,2-dichloroethane 108.57
    n-hexanol 54.34
    2-methoxyethanol 334.14
    isobutyl acetate 38.43
    tetrachloromethane 31.19
    n-pentyl acetate 46.8
    transcutol 114.23
    n-heptanol 41.06
    ethylbenzene 29.2
    MIBK 102.8
    2-propoxyethanol 149.75
    tert-butanol 142.53
    MTBE 117.89
    2-butoxyethanol 79.58
    propionic acid 74.29
    o-xylene 53.49
    formic acid 102.54
    diethyl ether 185.78
    m-xylene 47.58
    p-xylene 33.33
    chlorobenzene 32.67
    dimethyl carbonate 136.3
    n-octane 9.71
    formamide 209.61
    cyclopentanone 238.35
    2-pentanone 159.92
    anisole 81.61
    cyclopentyl methyl ether 223.39
    gamma-butyrolactone 221.05
    1-methoxy-2-propanol 278.46
    pyridine 112.33
    3-pentanone 148.95
    furfural 170.94
    n-dodecane 7.25
    diethylene glycol 139.08
    diisopropyl ether 59.89
    tert-amyl alcohol 116.14
    acetylacetone 152.73
    n-hexadecane 7.81
    acetophenone 85.15
    methyl propionate 163.99
    isopentyl acetate 41.12
    trichloroethylene 105.04
    n-nonanol 44.02
    cyclohexanol 95.04
    benzyl alcohol 61.57
    2-ethylhexanol 36.41
    isooctanol 31.51
    dipropyl ether 78.55
    1,2-dichlorobenzene 33.93
    ethyl lactate 68.44
    propylene carbonate 108.61
    n-methylformamide 260.12
    2-pentanol 85.76
    n-pentane 33.45
    1-propoxy-2-propanol 108.84
    1-methoxy-2-propyl acetate 102.54
    2-(2-methoxypropoxy) propanol 78.71
    mesitylene 37.89
    ε-caprolactone 114.2
    p-cymene 26.86
    epichlorohydrin 186.21
    1,1,1-trichloroethane 62.78
    2-aminoethanol 118.12
    morpholine-4-carbaldehyde 345.83
    sulfolane 355.41
    2,2,4-trimethylpentane 12.11
    2-methyltetrahydrofuran 219.23
    n-hexyl acetate 52.98
    isooctane 8.62
    2-(2-butoxyethoxy)ethanol 78.41
    sec-butyl acetate 54.05
    tert-butyl acetate 97.88
    decalin 10.73
    glycerin 134.59
    diglyme 148.81
    acrylic acid 68.16
    isopropyl myristate 32.1
    n-butyric acid 75.74
    acetyl acetate 60.66
    di(2-ethylhexyl) phthalate 28.48
    ethyl propionate 92.49
    nitromethane 163.04
    1,2-diethoxyethane 66.59
    benzonitrile 47.44
    trioctyl phosphate 28.63
    1-bromopropane 78.98
    gamma-valerolactone 220.79
    n-decanol 34.93
    triethyl phosphate 45.92
    4-methyl-2-pentanol 48.05
    propionitrile 83.49
    vinylene carbonate 84.3
    1,1,2-trichlorotrifluoroethane 161.44
    DMS 55.34
    cumene 23.88
    2-octanol 35.17
    2-hexanone 78.23
    octyl acetate 39.65
    limonene 39.37
    1,2-dimethoxyethane 268.02
    ethyl orthosilicate 42.94
    tributyl phosphate 27.65
    diacetone alcohol 135.57
    N,N-dimethylaniline 99.2
    acrylonitrile 96.47
    aniline 84.13
    1,3-propanediol 111.72
    bromobenzene 27.43
    dibromomethane 98.78
    1,1,2,2-tetrachloroethane 126.21
    2-methyl-cyclohexyl acetate 49.77
    tetrabutyl urea 55.46
    diisobutyl methanol 30.25
    2-phenylethanol 56.96
    styrene 30.6
    dioctyl adipate 41.03
    dimethyl sulfate 244.41
    ethyl butyrate 66.1
    methyl lactate 135.71
    butyl lactate 48.22
    diethyl carbonate 45.04
    propanediol butyl ether 63.91
    triethyl orthoformate 54.07
    p-tert-butyltoluene 30.64
    methyl 4-tert-butylbenzoate 78.3
    morpholine 244.25
    tert-butylamine 97.66
    n-dodecanol 28.1
    dimethoxymethane 491.55
    ethylene carbonate 76.89
    cyrene 119.13
    2-ethoxyethyl acetate 55.65
    2-ethylhexyl acetate 36.65
    1,2,4-trichlorobenzene 41.5
    4-methylpyridine 115.27
    dibutyl ether 38.92
    2,6-dimethyl-4-heptanol 30.25
    DEF 273.41
    dimethyl isosorbide 132.36
    tetrachloroethylene 83.24
    eugenol 80.47
    triacetin 58.69
    span 80 59.85
    1,4-butanediol 51.47
    1,1-dichloroethane 86.07
    2-methyl-1-pentanol 42.23
    methyl formate 176.96
    2-methyl-1-butanol 71.61
    n-decane 11.31
    butyronitrile 77.49
    3,7-dimethyl-1-octanol 35.81
    1-chlorooctane 27.9
    1-chlorotetradecane 14.02
    n-nonane 11.37
    undecane 8.78
    tert-butylcyclohexane 9.74
    cyclooctane 15.64
    cyclopentanol 141.61
    tetrahydropyran 156.2
    tert-amyl methyl ether 129.15
    2,5,8-trioxanonane 111.93
    1-hexene 36.88
    2-isopropoxyethanol 103.95
    2,2,2-trifluoroethanol 78.96
    methyl butyrate 101.0

    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