Sodium bischlorophenyl sulfamine

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  • Identifiers

    CAS number
    58727-01-8

    Molecular formula
    C38H26Cl4N4Na2O14S6

    SMILES
    C1=CC(=CC=C1NS(=O)(=O)C2=CC(=C(C=C2)Cl)Cl)S(=O)(=O)NC3=CC(=C(C=C3)/C=C/C4=C(C=C(C=C4)NS(=O)(=O)C5=CC=C(C=C5)NS(=O)(=O)C6=CC(=C(C=C6)Cl)Cl)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

    Safety labels

    Acute Toxic
    Acute Toxic

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Odorless 74.79%
    Cooked 26.87%
    Savory 24.49%
    Meaty 18.8%
    Roasted 18.18%
    Burnt 17.03%
    Bitter 16.49%
    Fruity 15.32%
    Sulfurous 15.12%
    Pungent 14.31%

     

    Flavor
    Bitter 90.76%
    Odorless 31.96%
    Bland 21.08%
    Nitrile 19.39%
    Very strong 17.24%
    Taco 16.97%
    Indole 16.94%
    Sweet-like 16.76%
    Bread crust 16.74%
    Roasted peanuts 16.63%

     

    Odor impact est.
    Odorless

  • Properties

    pKa est.
    -0.18 (strong acid)

    Molecular weight
    1142.8 g/mol

    Flash point

    • 580.82 ˚C est.

  • Synonyms

    • Sodium bischlorophenyl sulfamine
    • 58727-01-8
    • UNII-0R0G91RV69
    • 0R0G91RV69
    • 2,2'-(1,2-Ethenediyl)bis(5-(((4-(((3,4-dichlorophenyl)sulfonyl)amino)phenyl)sulfonyl)amino)benzenesulfonic acid, disodium salt
    • DTXSID20207433
    • RefChem:183802
    • DTXCID20129924
    • SODIUM BISCHLOROPHENYL SULFAMINE [INCI]
    • Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis(5-(((4-(((3,4-dichlorophenyl)sulfonyl)amino)phenyl)sulfonyl)amino)-, disodium salt
    • disodium;5-[[4-[(3,4-dichlorophenyl)sulfonylamino]phenyl]sulfonylamino]-2-[(E)-2-[4-[[4-[(3,4-dichlorophenyl)sulfonylamino]phenyl]sulfonylamino]-2-sulfonatophenyl]ethenyl]benzenesulfonate
    • SCHEMBL31494294
    • FQWVTOWRZJSJTK-SEPHDYHBSA-L
    • Q27237120
    • Disodium 2,2'-[(E)-ethene-1,2-diyl]bis{5-[4-(3,4-dichlorobenzene-1-sulfonamido)benzene-1-sulfonamido]benzene-1-sulfonate}
    • 58727-01-8

  • Applications

    Sodium bischlorophenyl sulfamine (CAS 58727-01-8) is used primarily as an intermediate in the synthesis of specialty organic chemicals. In polymer and plastics processing, it can function as a functionalizing agent or a crosslinking precursor to introduce sulfur-containing groups and modify material properties. It also serves as a reactive additive in coatings, inks, and adhesive formulations to tailor performance and compatibility. In research and development contexts, it is evaluated as a precursor or ligand in catalysis and advanced materials applications, with use governed by local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.74
    methanol 0.77
    isopropanol 0.39
    water 0.0
    ethyl acetate 0.6
    n-propanol 0.63
    acetone 2.08
    n-butanol 0.37
    acetonitrile 0.35
    DMF 12.65
    toluene 0.18
    isobutanol 0.25
    1,4-dioxane 2.24
    methyl acetate 1.05
    THF 7.21
    2-butanone 2.91
    n-pentanol 0.22
    sec-butanol 0.45
    n-hexane 0.0
    ethylene glycol 0.25
    NMP 13.79
    cyclohexane 0.01
    DMSO 4.45
    n-butyl acetate 0.78
    n-octanol 0.33
    chloroform 0.8
    n-propyl acetate 0.62
    acetic acid 1.07
    dichloromethane 0.76
    cyclohexanone 3.33
    propylene glycol 0.72
    isopropyl acetate 0.43
    DMAc 15.2
    2-ethoxyethanol 1.68
    isopentanol 0.19
    n-heptane 0.01
    ethyl formate 1.02
    1,2-dichloroethane 0.39
    n-hexanol 0.15
    2-methoxyethanol 3.73
    isobutyl acetate 0.24
    tetrachloromethane 0.03
    n-pentyl acetate 1.14
    transcutol 4.93
    n-heptanol 0.22
    ethylbenzene 0.05
    MIBK 0.43
    2-propoxyethanol 2.12
    tert-butanol 0.21
    MTBE 0.26
    2-butoxyethanol 2.05
    propionic acid 0.74
    o-xylene 0.08
    formic acid 0.82
    diethyl ether 0.28
    m-xylene 0.06
    p-xylene 0.07
    chlorobenzene 0.2
    dimethyl carbonate 0.73
    n-octane 0.01
    formamide 1.57
    cyclopentanone 7.44
    2-pentanone 1.26
    anisole 0.42
    cyclopentyl methyl ether 0.55
    gamma-butyrolactone 5.83
    1-methoxy-2-propanol 2.61
    pyridine 2.9
    3-pentanone 0.81
    furfural 5.9
    n-dodecane 0.01
    diethylene glycol 1.05
    diisopropyl ether 0.03
    tert-amyl alcohol 0.29
    acetylacetone 1.97
    n-hexadecane 0.01
    acetophenone 0.72
    methyl propionate 1.01
    isopentyl acetate 0.47
    trichloroethylene 1.41
    n-nonanol 0.36
    cyclohexanol 0.25
    benzyl alcohol 0.5
    2-ethylhexanol 0.08
    isooctanol 0.13
    dipropyl ether 0.27
    1,2-dichlorobenzene 0.14
    ethyl lactate 0.62
    propylene carbonate 1.8
    n-methylformamide 3.21
    2-pentanol 0.16
    n-pentane 0.0
    1-propoxy-2-propanol 1.77
    1-methoxy-2-propyl acetate 1.51
    2-(2-methoxypropoxy) propanol 2.21
    mesitylene 0.03
    ε-caprolactone 2.93
    p-cymene 0.05
    epichlorohydrin 4.51
    1,1,1-trichloroethane 0.16
    2-aminoethanol 0.64
    morpholine-4-carbaldehyde 11.42
    sulfolane 7.2
    2,2,4-trimethylpentane 0.0
    2-methyltetrahydrofuran 1.49
    n-hexyl acetate 1.14
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 3.04
    sec-butyl acetate 0.29
    tert-butyl acetate 0.39
    decalin 0.0
    glycerin 1.26
    diglyme 5.04
    acrylic acid 0.9
    isopropyl myristate 0.35
    n-butyric acid 0.92
    acetyl acetate 0.36
    di(2-ethylhexyl) phthalate 0.42
    ethyl propionate 0.47
    nitromethane 3.09
    1,2-diethoxyethane 1.19
    benzonitrile 0.53
    trioctyl phosphate 0.31
    1-bromopropane 0.17
    gamma-valerolactone 18.47
    n-decanol 0.22
    triethyl phosphate 0.21
    4-methyl-2-pentanol 0.06
    propionitrile 0.43
    vinylene carbonate 1.83
    1,1,2-trichlorotrifluoroethane 4.31
    DMS 0.81
    cumene 0.02
    2-octanol 0.19
    2-hexanone 0.94
    octyl acetate 0.61
    limonene 0.07
    1,2-dimethoxyethane 3.3
    ethyl orthosilicate 0.17
    tributyl phosphate 0.34
    diacetone alcohol 0.99
    N,N-dimethylaniline 0.24
    acrylonitrile 0.87
    aniline 0.39
    1,3-propanediol 0.9
    bromobenzene 0.13
    dibromomethane 0.3
    1,1,2,2-tetrachloroethane 1.02
    2-methyl-cyclohexyl acetate 0.38
    tetrabutyl urea 1.05
    diisobutyl methanol 0.05
    2-phenylethanol 0.42
    styrene 0.08
    dioctyl adipate 0.74
    dimethyl sulfate 1.12
    ethyl butyrate 0.65
    methyl lactate 1.33
    butyl lactate 1.57
    diethyl carbonate 0.32
    propanediol butyl ether 2.34
    triethyl orthoformate 0.51
    p-tert-butyltoluene 0.05
    methyl 4-tert-butylbenzoate 1.02
    morpholine 3.71
    tert-butylamine 0.06
    n-dodecanol 0.14
    dimethoxymethane 3.2
    ethylene carbonate 1.11
    cyrene 2.16
    2-ethoxyethyl acetate 2.32
    2-ethylhexyl acetate 0.36
    1,2,4-trichlorobenzene 0.25
    4-methylpyridine 1.61
    dibutyl ether 0.37
    2,6-dimethyl-4-heptanol 0.05
    DEF 2.01
    dimethyl isosorbide 3.12
    tetrachloroethylene 0.41
    eugenol 1.32
    triacetin 1.4
    span 80 1.8
    1,4-butanediol 0.26
    1,1-dichloroethane 0.29
    2-methyl-1-pentanol 0.13
    methyl formate 2.13
    2-methyl-1-butanol 0.23
    n-decane 0.01
    butyronitrile 0.45
    3,7-dimethyl-1-octanol 0.15
    1-chlorooctane 0.08
    1-chlorotetradecane 0.03
    n-nonane 0.01
    undecane 0.01
    tert-butylcyclohexane 0.0
    cyclooctane 0.0
    cyclopentanol 0.57
    tetrahydropyran 1.12
    tert-amyl methyl ether 0.24
    2,5,8-trioxanonane 3.43
    1-hexene 0.03
    2-isopropoxyethanol 0.74
    2,2,2-trifluoroethanol 0.41
    methyl butyrate 0.88

    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