Bromoethanesulfonic acid

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  • Identifiers

    CAS number
    26978-65-4

    Molecular formula
    C2H5BrO3S

    SMILES
    C(CBr)S(=O)(=O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 78.29%
    Sulfurous 29.48%
    Savory 25.81%
    Cooked 23.65%
    Roasted 22.78%
    Meaty 21.18%
    Pungent 19.14%
    Onion 18.14%
    Garlic 15.05%
    Alliaceous 14.88%

     

    Flavor
    Bitter 75.15%
    Odorless 33.18%
    Bland 29.64%
    Nitrile 20.75%
    Mild 20.01%
    Formyl 19.92%
    Taco 19.42%
    Bread crust 19.15%
    Scallion 19.12%
    Rotten 19.08%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    -0.1

    pKa est.
    8.31 (weak base)

    Molecular weight
    189.03 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    359°C

    Flash point

    • 143.13 ˚C est.

  • Synonyms

    • 2-BROMOETHANESULFONIC ACID
    • 26978-65-4
    • F7W8SD7W42
    • DTXSID30181477
    • RefChem:570348
    • DTXCID40103968
    • 248-150-8
    • Bromoethanesulfonic acid
    • 2-Bromo-1-ethanesulfonic acid
    • Ethanesulfonic acid, 2-bromo-
    • MFCD08059352
    • 2-bromoethane-1-sulfonic acid
    • 2-Bromanylethanesulfonic Acid
    • 2-Bromoethanesulphonic acid
    • C2H5BrO3S
    • 2-BromoethanesulfonicAcid
    • Mesna Impurity 8
    • EINECS 248-150-8
    • UNII-F7W8SD7W42
    • SCHEMBL24926
    • SCHEMBL1110008
    • BBA97865
    • STL280265
    • AKOS006284717
    • AS-31040
    • SY019880
    • DB-025851
    • NS00028238
    • 9SB
    • 26978-65-4

  • Applications

    Bromoethanesulfonic acid is a versatile reagent used primarily as an alkylating agent to install the 2-sulfoethyl moiety onto nucleophiles such as amines, thiols, or alcohols, enabling the synthesis of sulfonate-functionalized intermediates. It serves as an intermediate in the preparation of sulfonated polymers and ion-exchange resins by introducing sulfonate functionality into growing chains. It is also employed as a building block for sulfonated surfactants and dispersants, which find use in coatings, cleaners, and related formulations. In pharmaceutical and fine-chemical contexts, it may be used to prepare sulfonate-containing derivatives or intermediates, subject to appropriate regulatory and formulation controls. Additionally, it can act as a reagent for surface modification and coatings to impart ionic character and hydrophilicity.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 84.12
    methanol 122.59
    isopropanol 63.86
    water 58.61
    ethyl acetate 42.47
    n-propanol 59.21
    acetone 177.27
    n-butanol 49.2
    acetonitrile 82.47
    DMF 335.87
    toluene 17.36
    isobutanol 42.83
    1,4-dioxane 142.87
    methyl acetate 65.64
    THF 147.62
    2-butanone 88.69
    n-pentanol 43.14
    sec-butanol 51.93
    n-hexane 6.64
    ethylene glycol 65.49
    NMP 272.07
    cyclohexane 11.99
    DMSO 355.21
    n-butyl acetate 32.16
    n-octanol 34.88
    chloroform 26.13
    n-propyl acetate 40.65
    acetic acid 81.47
    dichloromethane 40.5
    cyclohexanone 100.76
    propylene glycol 42.62
    isopropyl acetate 33.17
    DMAc 280.7
    2-ethoxyethanol 120.08
    isopentanol 43.4
    n-heptane 8.26
    ethyl formate 53.75
    1,2-dichloroethane 46.11
    n-hexanol 33.44
    2-methoxyethanol 179.15
    isobutyl acetate 22.88
    tetrachloromethane 7.14
    n-pentyl acetate 34.02
    transcutol 165.57
    n-heptanol 28.81
    ethylbenzene 13.47
    MIBK 47.33
    2-propoxyethanol 83.56
    tert-butanol 71.16
    MTBE 46.2
    2-butoxyethanol 60.36
    propionic acid 46.91
    o-xylene 22.71
    formic acid 89.68
    diethyl ether 58.1
    m-xylene 17.67
    p-xylene 16.82
    chlorobenzene 16.32
    dimethyl carbonate 42.21
    n-octane 4.74
    formamide 142.25
    cyclopentanone 130.51
    2-pentanone 73.46
    anisole 44.93
    cyclopentyl methyl ether 61.95
    gamma-butyrolactone 114.94
    1-methoxy-2-propanol 116.92
    pyridine 63.74
    3-pentanone 61.9
    furfural 130.29
    n-dodecane 4.08
    diethylene glycol 98.86
    diisopropyl ether 20.28
    tert-amyl alcohol 55.52
    acetylacetone 103.67
    n-hexadecane 4.41
    acetophenone 58.31
    methyl propionate 51.7
    isopentyl acetate 26.6
    trichloroethylene 46.86
    n-nonanol 33.49
    cyclohexanol 46.61
    benzyl alcohol 46.82
    2-ethylhexanol 23.87
    isooctanol 23.71
    dipropyl ether 31.46
    1,2-dichlorobenzene 18.21
    ethyl lactate 35.45
    propylene carbonate 51.93
    n-methylformamide 131.02
    2-pentanol 38.96
    n-pentane 10.24
    1-propoxy-2-propanol 58.97
    1-methoxy-2-propyl acetate 43.21
    2-(2-methoxypropoxy) propanol 67.97
    mesitylene 15.93
    ε-caprolactone 74.15
    p-cymene 13.74
    epichlorohydrin 96.38
    1,1,1-trichloroethane 19.31
    2-aminoethanol 73.05
    morpholine-4-carbaldehyde 243.49
    sulfolane 166.94
    2,2,4-trimethylpentane 4.44
    2-methyltetrahydrofuran 82.3
    n-hexyl acetate 42.36
    isooctane 3.37
    2-(2-butoxyethoxy)ethanol 82.84
    sec-butyl acetate 25.76
    tert-butyl acetate 38.28
    decalin 5.16
    glycerin 74.16
    diglyme 136.95
    acrylic acid 51.93
    isopropyl myristate 23.19
    n-butyric acid 43.9
    acetyl acetate 32.82
    di(2-ethylhexyl) phthalate 27.76
    ethyl propionate 35.29
    nitromethane 158.43
    1,2-diethoxyethane 61.01
    benzonitrile 36.67
    trioctyl phosphate 22.39
    1-bromopropane 24.13
    gamma-valerolactone 181.73
    n-decanol 27.86
    triethyl phosphate 22.46
    4-methyl-2-pentanol 26.86
    propionitrile 43.76
    vinylene carbonate 49.91
    1,1,2-trichlorotrifluoroethane 78.31
    DMS 33.13
    cumene 12.6
    2-octanol 23.84
    2-hexanone 55.52
    octyl acetate 29.94
    limonene 20.08
    1,2-dimethoxyethane 190.02
    ethyl orthosilicate 21.14
    tributyl phosphate 23.52
    diacetone alcohol 65.43
    N,N-dimethylaniline 49.11
    acrylonitrile 55.85
    aniline 37.59
    1,3-propanediol 82.17
    bromobenzene 12.31
    dibromomethane 28.1
    1,1,2,2-tetrachloroethane 44.88
    2-methyl-cyclohexyl acetate 32.55
    tetrabutyl urea 45.99
    diisobutyl methanol 18.67
    2-phenylethanol 37.36
    styrene 14.86
    dioctyl adipate 36.16
    dimethyl sulfate 79.62
    ethyl butyrate 33.65
    methyl lactate 53.13
    butyl lactate 35.62
    diethyl carbonate 23.92
    propanediol butyl ether 61.83
    triethyl orthoformate 26.99
    p-tert-butyltoluene 14.02
    methyl 4-tert-butylbenzoate 51.62
    morpholine 131.11
    tert-butylamine 43.88
    n-dodecanol 22.96
    dimethoxymethane 165.53
    ethylene carbonate 43.8
    cyrene 81.93
    2-ethoxyethyl acetate 48.16
    2-ethylhexyl acetate 22.81
    1,2,4-trichlorobenzene 22.98
    4-methylpyridine 60.88
    dibutyl ether 29.29
    2,6-dimethyl-4-heptanol 18.67
    DEF 108.71
    dimethyl isosorbide 93.49
    tetrachloroethylene 31.24
    eugenol 59.27
    triacetin 47.69
    span 80 54.22
    1,4-butanediol 49.88
    1,1-dichloroethane 26.92
    2-methyl-1-pentanol 38.21
    methyl formate 111.93
    2-methyl-1-butanol 41.22
    n-decane 5.88
    butyronitrile 42.53
    3,7-dimethyl-1-octanol 29.27
    1-chlorooctane 15.41
    1-chlorotetradecane 8.86
    n-nonane 5.75
    undecane 4.74
    tert-butylcyclohexane 4.07
    cyclooctane 6.04
    cyclopentanol 61.74
    tetrahydropyran 65.4
    tert-amyl methyl ether 41.38
    2,5,8-trioxanonane 114.34
    1-hexene 14.82
    2-isopropoxyethanol 77.16
    2,2,2-trifluoroethanol 55.61
    methyl butyrate 49.98

    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