1,1-Dibromo-1-chloro-2-propanone

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  • Identifiers

    CAS number
    30957-55-2

    Molecular formula
    C3H3Br2ClO

    SMILES
    CC(=O)C(Cl)(Br)Br

    Safety labels

  • Odor profile

    Fragrance
    Odorless 39.46%
    Sweet 35.66%
    Woody 27.3%
    Dry 21.59%
    Earthy 20.47%
    Floral 19.36%
    Savory 18.75%
    Creamy 17.71%
    Milky 17.45%
    Mint 17.37%

     

    Flavor
    Odorless 37.23%
    Roasted 23.31%
    Sulfury 23.13%
    Sulfurous 22.41%
    Cooked 22.33%
    Mild 21.0%
    Bland 20.73%
    Meaty 19.53%
    Scallion 19.32%
    Bloody 19.25%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.1

    pKa est.
    3.19 (weak acid)

    Molecular weight
    250.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    184°C

    Flash point

    • 54.23 ˚C est.

  • Synonyms

    • 1,1-Dibromo-1-chloro-2-propanone
    • 1,1-dibromo-1-chloropropan-2-one
    • 30957-55-2
    • 1,1-Dibromo-1-chloroacetone
    • SCHEMBL26616139
    • DTXSID401301485
    • InChI=1/C3H3Br2ClO/c1-2(7)3(4,5)6/h1H
    • 30957-55-2

  • Applications

    1,1-Dibromo-1-chloro-2-propanone is primarily used as an organohalogen intermediate in organic synthesis. It is commonly employed as a versatile building block for introducing bromine- and chlorine-substituted ketone functionality into target molecules, serving as a precursor for the synthesis of halogenated derivatives used in specialty chemicals and pharmaceutical intermediates. In industrial manufacturing, it may function as a reactive intermediate for creating halogenated monomers, crosslinkers, and other resin or polymer additives used in coatings and plastics. Its role is typically as an intermediate rather than a final product, and its use is subject to local regulations and formulation limits. (Identity: 1,1-Dibromo-1-chloro-2-propanone, CAS 30957-55-2.)

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 104.72
    methanol 104.12
    isopropanol 99.34
    water 3.87
    ethyl acetate 347.02
    n-propanol 97.44
    acetone 797.82
    n-butanol 98.9
    acetonitrile 318.8
    DMF 1500.11
    toluene 286.53
    isobutanol 91.2
    1,4-dioxane 737.18
    methyl acetate 478.68
    THF 926.42
    2-butanone 518.53
    n-pentanol 94.9
    sec-butanol 117.81
    n-hexane 48.22
    ethylene glycol 53.16
    NMP 1733.27
    cyclohexane 82.88
    DMSO 997.27
    n-butyl acetate 214.44
    n-octanol 85.7
    chloroform 574.18
    n-propyl acetate 268.64
    acetic acid 194.64
    dichloromethane 570.98
    cyclohexanone 680.53
    propylene glycol 52.04
    isopropyl acetate 269.5
    DMAc 1481.77
    2-ethoxyethanol 264.87
    isopentanol 101.87
    n-heptane 48.98
    ethyl formate 263.75
    1,2-dichloroethane 387.45
    n-hexanol 98.02
    2-methoxyethanol 374.63
    isobutyl acetate 172.98
    tetrachloromethane 160.69
    n-pentyl acetate 172.08
    transcutol 487.02
    n-heptanol 65.67
    ethylbenzene 186.87
    MIBK 274.66
    2-propoxyethanol 258.91
    tert-butanol 164.15
    MTBE 301.84
    2-butoxyethanol 153.09
    propionic acid 127.3
    o-xylene 284.78
    formic acid 95.52
    diethyl ether 307.29
    m-xylene 238.18
    p-xylene 279.3
    chlorobenzene 287.27
    dimethyl carbonate 323.47
    n-octane 26.16
    formamide 233.24
    cyclopentanone 905.7
    2-pentanone 403.17
    anisole 460.42
    cyclopentyl methyl ether 486.8
    gamma-butyrolactone 831.88
    1-methoxy-2-propanol 321.65
    pyridine 502.96
    3-pentanone 411.64
    furfural 924.1
    n-dodecane 24.29
    diethylene glycol 214.9
    diisopropyl ether 159.92
    tert-amyl alcohol 177.96
    acetylacetone 803.77
    n-hexadecane 28.21
    acetophenone 485.95
    methyl propionate 355.4
    isopentyl acetate 190.01
    trichloroethylene 792.87
    n-nonanol 87.4
    cyclohexanol 177.63
    benzyl alcohol 238.99
    2-ethylhexanol 101.43
    isooctanol 65.37
    dipropyl ether 186.67
    1,2-dichlorobenzene 322.23
    ethyl lactate 146.27
    propylene carbonate 418.54
    n-methylformamide 391.26
    2-pentanol 100.76
    n-pentane 48.53
    1-propoxy-2-propanol 199.61
    1-methoxy-2-propyl acetate 315.04
    2-(2-methoxypropoxy) propanol 265.22
    mesitylene 190.11
    ε-caprolactone 473.76
    p-cymene 128.87
    epichlorohydrin 773.36
    1,1,1-trichloroethane 478.99
    2-aminoethanol 75.92
    morpholine-4-carbaldehyde 1262.91
    sulfolane 1128.53
    2,2,4-trimethylpentane 42.56
    2-methyltetrahydrofuran 630.07
    n-hexyl acetate 210.64
    isooctane 28.55
    2-(2-butoxyethoxy)ethanol 249.4
    sec-butyl acetate 220.53
    tert-butyl acetate 342.63
    decalin 66.08
    glycerin 103.35
    diglyme 553.34
    acrylic acid 146.99
    isopropyl myristate 134.8
    n-butyric acid 151.22
    acetyl acetate 367.93
    di(2-ethylhexyl) phthalate 122.19
    ethyl propionate 272.6
    nitromethane 863.67
    1,2-diethoxyethane 305.67
    benzonitrile 298.07
    trioctyl phosphate 85.6
    1-bromopropane 215.93
    gamma-valerolactone 1149.13
    n-decanol 74.85
    triethyl phosphate 166.7
    4-methyl-2-pentanol 82.94
    propionitrile 180.09
    vinylene carbonate 380.93
    1,1,2-trichlorotrifluoroethane 512.46
    DMS 291.15
    cumene 146.11
    2-octanol 64.93
    2-hexanone 313.32
    octyl acetate 142.87
    limonene 171.32
    1,2-dimethoxyethane 727.26
    ethyl orthosilicate 157.66
    tributyl phosphate 108.05
    diacetone alcohol 337.25
    N,N-dimethylaniline 410.78
    acrylonitrile 255.77
    aniline 254.47
    1,3-propanediol 107.01
    bromobenzene 333.52
    dibromomethane 354.17
    1,1,2,2-tetrachloroethane 608.16
    2-methyl-cyclohexyl acetate 213.22
    tetrabutyl urea 191.71
    diisobutyl methanol 89.81
    2-phenylethanol 190.92
    styrene 223.08
    dioctyl adipate 192.71
    dimethyl sulfate 664.49
    ethyl butyrate 229.47
    methyl lactate 203.35
    butyl lactate 125.15
    diethyl carbonate 173.97
    propanediol butyl ether 133.84
    triethyl orthoformate 192.07
    p-tert-butyltoluene 135.69
    methyl 4-tert-butylbenzoate 300.46
    morpholine 627.64
    tert-butylamine 115.01
    n-dodecanol 66.4
    dimethoxymethane 690.74
    ethylene carbonate 294.42
    cyrene 407.81
    2-ethoxyethyl acetate 272.99
    2-ethylhexyl acetate 178.63
    1,2,4-trichlorobenzene 415.6
    4-methylpyridine 581.24
    dibutyl ether 157.45
    2,6-dimethyl-4-heptanol 89.81
    DEF 623.38
    dimethyl isosorbide 517.28
    tetrachloroethylene 405.55
    eugenol 284.79
    triacetin 325.31
    span 80 186.97
    1,4-butanediol 65.76
    1,1-dichloroethane 341.95
    2-methyl-1-pentanol 108.82
    methyl formate 423.47
    2-methyl-1-butanol 104.09
    n-decane 34.04
    butyronitrile 172.61
    3,7-dimethyl-1-octanol 100.26
    1-chlorooctane 89.13
    1-chlorotetradecane 55.85
    n-nonane 31.62
    undecane 28.11
    tert-butylcyclohexane 54.02
    cyclooctane 44.18
    cyclopentanol 216.47
    tetrahydropyran 451.28
    tert-amyl methyl ether 308.71
    2,5,8-trioxanonane 426.41
    1-hexene 107.06
    2-isopropoxyethanol 213.14
    2,2,2-trifluoroethanol 173.3
    methyl butyrate 341.75

    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