Acetyl bromide

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  • Identifiers

    CAS number
    506-96-7

    Molecular formula
    C2H3BrO

    SMILES
    CC(=O)Br

    Safety labels

    Corrosive
    Corrosive

  • Odor profile

    Fragrance
    Pungent 51.24%
    Sharp 42.74%
    Sweet 39.74%
    Cheesy 39.19%
    Caramellic 38.12%
    Sour 37.41%
    Burnt 36.61%
    Fruity 36.29%
    Ethereal 35.77%
    Buttery 32.35%

     

    Flavor
    Odorless 36.06%
    Pungent 29.64%
    Sour 25.64%
    Mousy 24.69%
    Vinegar 23.76%
    Acidic 22.88%
    Sharp 22.42%
    Mustard 22.06%
    Soy 21.7%
    Sulfurous 21.6%

     

    Odor impact est.
    High

    Odor threshold

    • Odor detection in air is 5.00 x 10(-4) mg/L (gas) (chemically pure)

  • Properties

    XLogP3-AA
    0.8

    pKa est.
    7.23 (neutral)

    Molecular weight
    122.95 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Melting point expt.

    • -141.7 °F (USCG, 1999)
    • -95.5 °C
    • -96 °C

    Boiling point

    • 169 °F at 760 mmHg (USCG, 1999)
    • 74 °C
    • 76 °C

    Flash point

    • 22.13 ˚C est.
    • 110 °C (230 °F) - closed cup
    • 75 °C

    Solubility expt.

    • Violently decomposed by water or alcohol
    • Miscible with ether, chloroform, benzene
    • Soluble in ether, chloroform, benzene
    • Miscible with ether, benzene, chloroform; soluble in acetone
    • Solubility in water: reaction

  • Synonyms

    • ACETYL BROMIDE
    • 506-96-7
    • Ethanoyl bromide
    • Acetylbromide
    • Acetic acid, bromide
    • CH3COBr
    • Acetyl bromide-2-13C
    • UN1716
    • HSDB 663
    • UNII-O18V5XYO0G
    • EINECS 208-061-7
    • O18V5XYO0G
    • acetic acid bromide
    • BRN 1697546
    • Acetyl bromide-1-13C
    • 74787-38-5
    • ACETYL BROMIDE [MI]
    • DTXSID5060140
    • EC 208-061-7
    • 4-02-00-00398 (Beilstein Handbook Reference)
    • UN 1716
    • UN-1716
    • C2H3BrO
    • AcBr
    • MFCD00000114
    • Acetyl bromide, 99%
    • Acetyl bromide, 99.0%
    • SCHEMBL35161
    • DTXCID7040869
    • BCP28224
    • AKOS009031561
    • Acetyl bromide [UN1716] [Corrosive]
    • DB-071242
    • A0080
    • NS00007052
    • EN300-19521
    • E78895
    • A828254
    • Q420493
    • F0001-1319
    • 208-061-7

  • Applications

    Acetyl bromide (CAS 506-96-7) is a highly reactive acyl bromide primarily used as an acetylating reagent in organic synthesis, enabling the introduction of the acetyl group into alcohols, phenols, and amines to form acetyl esters and amides. It also serves as a precursor or intermediate for pharmaceutical compounds and other industrial chemicals. In polymer chemistry, it is used to introduce acetyl functionality into polymer chains or surfaces to tailor properties and processing. In coatings and resins, it acts as an activating reagent to modify resin functionality and adhesion. It may also serve as a handle for in situ generation of other acyl bromides for subsequent transformations, depending on the reaction system and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 340.8
    methanol 383.12
    isopropanol 299.05
    water 89.33
    ethyl acetate 463.11
    n-propanol 269.56
    acetone 821.58
    n-butanol 246.94
    acetonitrile 607.53
    DMF 1103.67
    toluene 331.5
    isobutanol 219.57
    1,4-dioxane 775.97
    methyl acetate 547.36
    THF 737.85
    2-butanone 549.49
    n-pentanol 200.64
    sec-butanol 274.93
    n-hexane 96.22
    ethylene glycol 180.39
    NMP 1269.51
    cyclohexane 127.32
    DMSO 776.96
    n-butyl acetate 208.03
    n-octanol 190.68
    chloroform 702.19
    n-propyl acetate 267.21
    acetic acid 518.09
    dichloromethane 634.6
    cyclohexanone 571.48
    propylene glycol 176.11
    isopropyl acetate 297.98
    DMAc 1219.46
    2-ethoxyethanol 452.65
    isopentanol 214.16
    n-heptane 74.26
    ethyl formate 340.82
    1,2-dichloroethane 424.57
    n-hexanol 180.4
    2-methoxyethanol 660.87
    isobutyl acetate 171.42
    tetrachloromethane 206.6
    n-pentyl acetate 192.01
    transcutol 869.64
    n-heptanol 126.47
    ethylbenzene 177.24
    MIBK 278.3
    2-propoxyethanol 385.22
    tert-butanol 345.91
    MTBE 377.61
    2-butoxyethanol 252.45
    propionic acid 304.86
    o-xylene 284.24
    formic acid 278.47
    diethyl ether 395.1
    m-xylene 253.02
    p-xylene 239.5
    chlorobenzene 321.18
    dimethyl carbonate 321.26
    n-octane 44.9
    formamide 396.04
    cyclopentanone 675.72
    2-pentanone 425.14
    anisole 408.43
    cyclopentyl methyl ether 462.02
    gamma-butyrolactone 719.92
    1-methoxy-2-propanol 524.28
    pyridine 526.41
    3-pentanone 401.33
    furfural 770.11
    n-dodecane 45.2
    diethylene glycol 355.65
    diisopropyl ether 186.27
    tert-amyl alcohol 313.08
    acetylacetone 619.78
    n-hexadecane 49.34
    acetophenone 381.91
    methyl propionate 432.62
    isopentyl acetate 189.32
    trichloroethylene 721.7
    n-nonanol 174.42
    cyclohexanol 292.14
    benzyl alcohol 279.68
    2-ethylhexanol 136.21
    isooctanol 111.79
    dipropyl ether 211.51
    1,2-dichlorobenzene 310.88
    ethyl lactate 174.94
    propylene carbonate 388.88
    n-methylformamide 507.34
    2-pentanol 212.47
    n-pentane 104.35
    1-propoxy-2-propanol 281.41
    1-methoxy-2-propyl acetate 299.62
    2-(2-methoxypropoxy) propanol 343.28
    mesitylene 176.23
    ε-caprolactone 477.55
    p-cymene 117.54
    epichlorohydrin 675.93
    1,1,1-trichloroethane 524.87
    2-aminoethanol 229.61
    morpholine-4-carbaldehyde 1072.84
    sulfolane 717.46
    2,2,4-trimethylpentane 69.85
    2-methyltetrahydrofuran 588.69
    n-hexyl acetate 286.89
    isooctane 50.59
    2-(2-butoxyethoxy)ethanol 387.64
    sec-butyl acetate 199.38
    tert-butyl acetate 314.55
    decalin 82.14
    glycerin 260.27
    diglyme 662.03
    acrylic acid 317.39
    isopropyl myristate 148.64
    n-butyric acid 296.99
    acetyl acetate 363.0
    di(2-ethylhexyl) phthalate 146.67
    ethyl propionate 284.24
    nitromethane 1032.72
    1,2-diethoxyethane 345.14
    benzonitrile 349.15
    trioctyl phosphate 103.56
    1-bromopropane 286.7
    gamma-valerolactone 919.4
    n-decanol 141.94
    triethyl phosphate 139.36
    4-methyl-2-pentanol 148.24
    propionitrile 339.9
    vinylene carbonate 372.75
    1,1,2-trichlorotrifluoroethane 530.83
    DMS 298.26
    cumene 131.32
    2-octanol 120.22
    2-hexanone 293.46
    octyl acetate 184.7
    limonene 171.67
    1,2-dimethoxyethane 740.97
    ethyl orthosilicate 137.15
    tributyl phosphate 124.73
    diacetone alcohol 358.81
    N,N-dimethylaniline 332.32
    acrylonitrile 412.56
    aniline 335.94
    1,3-propanediol 284.2
    bromobenzene 315.58
    dibromomethane 446.8
    1,1,2,2-tetrachloroethane 586.96
    2-methyl-cyclohexyl acetate 181.58
    tetrabutyl urea 191.75
    diisobutyl methanol 105.93
    2-phenylethanol 209.51
    styrene 220.26
    dioctyl adipate 200.72
    dimethyl sulfate 497.77
    ethyl butyrate 197.26
    methyl lactate 262.66
    butyl lactate 163.05
    diethyl carbonate 158.88
    propanediol butyl ether 262.46
    triethyl orthoformate 170.76
    p-tert-butyltoluene 122.99
    methyl 4-tert-butylbenzoate 299.96
    morpholine 673.05
    tert-butylamine 247.93
    n-dodecanol 120.24
    dimethoxymethane 698.25
    ethylene carbonate 312.89
    cyrene 344.68
    2-ethoxyethyl acetate 283.03
    2-ethylhexyl acetate 167.33
    1,2,4-trichlorobenzene 403.87
    4-methylpyridine 622.48
    dibutyl ether 217.03
    2,6-dimethyl-4-heptanol 105.93
    DEF 548.95
    dimethyl isosorbide 467.41
    tetrachloroethylene 379.27
    eugenol 300.78
    triacetin 352.57
    span 80 272.5
    1,4-butanediol 155.1
    1,1-dichloroethane 488.22
    2-methyl-1-pentanol 192.54
    methyl formate 466.2
    2-methyl-1-butanol 220.37
    n-decane 63.48
    butyronitrile 306.29
    3,7-dimethyl-1-octanol 177.22
    1-chlorooctane 143.66
    1-chlorotetradecane 81.48
    n-nonane 62.91
    undecane 51.65
    tert-butylcyclohexane 76.76
    cyclooctane 67.01
    cyclopentanol 324.16
    tetrahydropyran 503.12
    tert-amyl methyl ether 349.82
    2,5,8-trioxanonane 499.28
    1-hexene 176.0
    2-isopropoxyethanol 324.0
    2,2,2-trifluoroethanol 337.82
    methyl butyrate 319.59

    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