Allyl bromide

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  • Identifiers

    CAS number
    106-95-6

    Molecular formula
    C3H5Br

    SMILES
    C=CCBr

    Safety labels

    Flammable
    Flammable

    Corrosive
    Corrosive

    Acute Toxic
    Acute Toxic

    Irritant
    Irritant

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Pungent 48.52%
    Cheesy 41.56%
    Sulfurous 39.07%
    Alliaceous 38.44%
    Garlic 37.63%
    Fishy 36.83%
    Onion 35.62%
    Green 32.9%
    Radish 32.02%
    Gassy 31.77%

     

    Flavor
    Garlic 43.31%
    Onion 40.69%
    Sulfurous 38.37%
    Alliaceous 34.52%
    Fishy 28.08%
    Mustard 27.41%
    Ammoniacal 24.75%
    Horseradish 23.68%
    Sulfur 23.15%
    Roasted 21.64%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.8

    pKa est.
    6.33 (neutral)

    Molecular weight
    120.98 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Melting point expt.

    • -182 °F (USCG, 1999)
    • -119 °C

    Boiling point

    • 158 °F at 760 mmHg (USCG, 1999)
    • 71.3 °C at 760 mm Hg

    Flash point

    • 1.96 ˚C est.
    • 28 °F (USCG, 1999)
    • -1 °C
    • 30 °F (-1 °C)

    Solubility expt.

    • Miscible with alcohol, chloroform, ether, carbon disulfide, carbon tetrachloride
    • In water, 3,835 mg/L at 25 °C

  • Synonyms

    • ALLYL BROMIDE
    • 106-95-6
    • 3-bromoprop-1-ene
    • 3-Bromopropene
    • 1-Propene, 3-bromo-
    • 3-Bromo-1-propene
    • 3-Bromopropylene
    • Bromallylene
    • 2-Propenyl bromide
    • 1-Bromo-2-propene
    • Propene, 3-bromo-
    • allylbromide
    • NSC 7596
    • CCRIS 9049
    • HSDB 622
    • UNII-FXQ8X2F74Z
    • EINECS 203-446-6
    • FXQ8X2F74Z
    • MFCD00000244
    • BRN 0605308
    • DTXSID8024442
    • AI3-52208
    • NSC-7596
    • DTXCID204442
    • EC 203-446-6
    • Allyl Bromide (Stabilized with Propylene Oxide)
    • UN1099
    • allylbromid
    • allyl bromine
    • allyl-bromide
    • 3-bromo-propene
    • 1-brom-2-propene
    • 3-bromo-1-propen
    • UN 1099
    • 3-bromo-prop-1-ene
    • CH2=CHCH2Br
    • SCHEMBL411
    • ALLYL BROMIDE [MI]
    • 3-Bromopropene Allyl bromide
    • ALLYL BROMIDE [HSDB]
    • WLN: E2U1
    • CHEMBL1429506
    • NSC7596
    • STR00178
    • Tox21_200801
    • BR1119
    • STL199163
    • AKOS000118756
    • NCGC00091515-01
    • NCGC00091515-02
    • NCGC00258355-01
    • Allyl bromide, purum, >=98.0% (GC)
    • BP-13477
    • CAS-106-95-6
    • Allyl bromide, puriss., >=99.0% (GC)
    • B0643
    • NS00008702
    • Allyl bromide [UN1099] [Flammable liquid]
    • EN300-19278
    • InChI=1/C3H5Br/c1-2-3-4/h2H,1,3H
    • Q223062
    • F2190-0178
    • Allyl bromide, 99%, stab. with 300-1000ppm Propylene oxide
    • Allyl bromide, reagent grade, 97%, contains <=1000 ppm propylene oxide as stabilizer
    • Allyl bromide, ReagentPlus(R), 99%, contains <=1000 ppm propylene oxide as stabilizer
    • 203-446-6

  • Applications

    Allyl bromide (CAS 106-95-6) is a reactive alkylating agent used as an intermediate in organic synthesis to install allyl groups, enabling the formation of allyl ethers from alcohols and N-allyl derivatives from amines. It serves as a starting material for pharmaceutical and agrochemical intermediates and for polymer functionalization, where pendant allyl groups enable subsequent crosslinking (e.g., thiol-ene chemistry) or resin modification in coatings and adhesives. It is also employed to prepare allyl-functional monomers and resins for specialty coatings.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 68.32
    methanol 52.3
    isopropanol 64.06
    water 0.54
    ethyl acetate 83.62
    n-propanol 70.97
    acetone 153.36
    n-butanol 79.4
    acetonitrile 71.53
    DMF 123.64
    toluene 101.86
    isobutanol 62.4
    1,4-dioxane 192.63
    methyl acetate 91.44
    THF 277.49
    2-butanone 140.23
    n-pentanol 75.23
    sec-butanol 74.87
    n-hexane 37.16
    ethylene glycol 20.01
    NMP 189.32
    cyclohexane 86.82
    DMSO 195.28
    n-butyl acetate 155.9
    n-octanol 76.45
    chloroform 193.52
    n-propyl acetate 95.07
    acetic acid 92.79
    dichloromethane 154.45
    cyclohexanone 215.08
    propylene glycol 26.3
    isopropyl acetate 67.26
    DMAc 141.06
    2-ethoxyethanol 97.44
    isopentanol 80.98
    n-heptane 77.54
    ethyl formate 51.55
    1,2-dichloroethane 119.26
    n-hexanol 111.28
    2-methoxyethanol 106.32
    isobutyl acetate 78.48
    tetrachloromethane 65.86
    n-pentyl acetate 101.9
    transcutol 400.01
    n-heptanol 67.5
    ethylbenzene 64.4
    MIBK 93.84
    2-propoxyethanol 137.09
    tert-butanol 95.82
    MTBE 103.94
    2-butoxyethanol 99.09
    propionic acid 64.48
    o-xylene 87.32
    formic acid 21.18
    diethyl ether 111.23
    m-xylene 76.64
    p-xylene 86.72
    chlorobenzene 107.79
    dimethyl carbonate 31.57
    n-octane 29.38
    formamide 31.52
    cyclopentanone 206.6
    2-pentanone 127.57
    anisole 107.7
    cyclopentyl methyl ether 155.75
    gamma-butyrolactone 160.3
    1-methoxy-2-propanol 91.61
    pyridine 176.16
    3-pentanone 110.22
    furfural 163.11
    n-dodecane 22.29
    diethylene glycol 93.06
    diisopropyl ether 57.92
    tert-amyl alcohol 94.15
    acetylacetone 122.34
    n-hexadecane 24.78
    acetophenone 115.84
    methyl propionate 68.66
    isopentyl acetate 137.43
    trichloroethylene 219.02
    n-nonanol 73.61
    cyclohexanol 115.4
    benzyl alcohol 83.65
    2-ethylhexanol 105.34
    isooctanol 63.55
    dipropyl ether 150.21
    1,2-dichlorobenzene 97.28
    ethyl lactate 46.81
    propylene carbonate 93.39
    n-methylformamide 49.0
    2-pentanol 72.31
    n-pentane 43.04
    1-propoxy-2-propanol 144.94
    1-methoxy-2-propyl acetate 126.49
    2-(2-methoxypropoxy) propanol 138.66
    mesitylene 61.0
    ε-caprolactone 162.9
    p-cymene 88.39
    epichlorohydrin 164.69
    1,1,1-trichloroethane 149.26
    2-aminoethanol 35.35
    morpholine-4-carbaldehyde 188.86
    sulfolane 206.4
    2,2,4-trimethylpentane 28.54
    2-methyltetrahydrofuran 219.08
    n-hexyl acetate 115.83
    isooctane 22.77
    2-(2-butoxyethoxy)ethanol 167.83
    sec-butyl acetate 78.49
    tert-butyl acetate 95.26
    decalin 40.39
    glycerin 39.13
    diglyme 263.66
    acrylic acid 59.15
    isopropyl myristate 73.9
    n-butyric acid 88.56
    acetyl acetate 61.03
    di(2-ethylhexyl) phthalate 66.7
    ethyl propionate 71.62
    nitromethane 108.07
    1,2-diethoxyethane 193.15
    benzonitrile 98.78
    trioctyl phosphate 49.64
    1-bromopropane 105.59
    gamma-valerolactone 212.96
    n-decanol 62.42
    triethyl phosphate 65.1
    4-methyl-2-pentanol 55.83
    propionitrile 67.95
    vinylene carbonate 78.91
    1,1,2-trichlorotrifluoroethane 125.12
    DMS 81.27
    cumene 54.24
    2-octanol 57.28
    2-hexanone 127.87
    octyl acetate 83.13
    limonene 137.26
    1,2-dimethoxyethane 171.47
    ethyl orthosilicate 70.36
    tributyl phosphate 57.64
    diacetone alcohol 107.66
    N,N-dimethylaniline 89.9
    acrylonitrile 67.05
    aniline 90.93
    1,3-propanediol 53.35
    bromobenzene 113.74
    dibromomethane 134.63
    1,1,2,2-tetrachloroethane 178.83
    2-methyl-cyclohexyl acetate 116.22
    tetrabutyl urea 87.18
    diisobutyl methanol 83.57
    2-phenylethanol 103.46
    styrene 79.06
    dioctyl adipate 98.86
    dimethyl sulfate 58.02
    ethyl butyrate 119.93
    methyl lactate 41.19
    butyl lactate 74.84
    diethyl carbonate 70.71
    propanediol butyl ether 93.15
    triethyl orthoformate 99.28
    p-tert-butyltoluene 84.59
    methyl 4-tert-butylbenzoate 111.77
    morpholine 181.1
    tert-butylamine 71.69
    n-dodecanol 55.11
    dimethoxymethane 84.81
    ethylene carbonate 65.86
    cyrene 117.37
    2-ethoxyethyl acetate 116.23
    2-ethylhexyl acetate 133.51
    1,2,4-trichlorobenzene 128.0
    4-methylpyridine 153.62
    dibutyl ether 116.5
    2,6-dimethyl-4-heptanol 83.57
    DEF 117.32
    dimethyl isosorbide 208.73
    tetrachloroethylene 133.19
    eugenol 107.04
    triacetin 118.2
    span 80 133.86
    1,4-butanediol 33.79
    1,1-dichloroethane 121.14
    2-methyl-1-pentanol 78.56
    methyl formate 42.67
    2-methyl-1-butanol 75.84
    n-decane 32.49
    butyronitrile 76.01
    3,7-dimethyl-1-octanol 88.78
    1-chlorooctane 70.0
    1-chlorotetradecane 41.27
    n-nonane 34.14
    undecane 25.92
    tert-butylcyclohexane 36.83
    cyclooctane 40.13
    cyclopentanol 109.45
    tetrahydropyran 221.24
    tert-amyl methyl ether 102.36
    2,5,8-trioxanonane 224.31
    1-hexene 73.48
    2-isopropoxyethanol 93.65
    2,2,2-trifluoroethanol 34.9
    methyl butyrate 94.74

    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