alpha-Bromostyrene

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  • Identifiers

    CAS number
    98-81-7

    Molecular formula
    C8H7Br

    SMILES
    C=C(C1=CC=CC=C1)Br

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Floral 50.72%
    Green 33.4%
    Herbal 28.96%
    Balsamic 28.8%
    Spicy 27.51%
    Bitter 26.38%
    Fruity 26.19%
    Honey 25.0%
    Rose 23.58%
    Musty 22.38%

     

    Flavor
    Nitrile 24.0%
    Styrene 20.67%
    Almond shell 20.28%
    Penetrating 20.11%
    Oriental 20.02%
    Urine 19.76%
    Very strong 19.71%
    Turnup 19.67%
    Creosote 19.66%
    Moth ball 19.46%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.2

    pKa est.
    6.21 (neutral)

    Molecular weight
    183.04 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    214°C

    Flash point

    • 71.05 ˚C est.

  • Synonyms

    • (1-Bromovinyl)benzene
    • alpha-Bromostyrene
    • 1-Bromostyrene
    • Styrene, alpha-bromo-
    • (1-bromoethenyl)benzene
    • 1-Phenylvinyl bromide
    • Styrene, .alpha.-bromo-
    • .alpha.-Bromostyrene
    • BRN 2038866
    • EINECS 202-702-4
    • LF0SJ1821N
    • 1-BROMO-1-PHENYLETHENE
    • UNII-LF0SJ1821N
    • 1-BROMO-1-PHENYLETHYLENE
    • DTXSID70243366
    • 4-05-00-01349 (Beilstein Handbook Reference)
    • RefChem:111110
    • DTXCID70165857
    • 202-702-4
    • SRXJYTZCORKVNA-UHFFFAOYSA-N
    • 98-81-7
    • Benzene, (1-bromoethenyl)-
    • 1-bromoethenylbenzene
    • MFCD00012229
    • a-Bromostyrene (~90%, ~1% Hydroquinone as stabilizer)
    • alpha-Bromostyrol
    • alpha-Bromostyrol [Russian]
    • 1-bromovinylbenzene
    • alpha-bromo styrene
    • .alpha.-Bromostyrol
    • (1-bromo-vinyl)-benzene
    • (1-Bromovinyl)benzene #
    • 95% stabilized with TBC
    • (1-Bromoethen-1-yl)benzene
    • SCHEMBL297455
    • SCHEMBL10967112
    • SBB080633
    • AKOS005267128
    • alpha-Bromostyrene, technical grade, 90%
    • AS-57510
    • SY011143
    • DB-057749
    • NS00041271
    • D95919
    • EN300-123240
    • F114200
    • (1-Bromovinyl)benzene

  • Applications

    Alpha-bromostyrene is primarily used as a reactive vinyl bromide intermediate in organic synthesis. In polymers and plastics, it serves as a functional monomer or comonomer to prepare polystyrene-based materials bearing pendant bromine handles, enabling post-polymerization modification by cross-coupling reactions (such as Suzuki or Heck). In the fine chemicals and pharmaceutical arena, it is a versatile building block for palladium-catalyzed cross-coupling to assemble more complex aryl-containing molecules. In coatings, adhesives, and specialty polymers, it provides reactive sites for surface modification and curing or grafting applications. It may also be employed as a precursor to conjugated materials for electronics or optoelectronic applications through subsequent functionalization.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 139.79
    methanol 104.26
    isopropanol 140.18
    water 1.48
    ethyl acetate 424.84
    n-propanol 149.89
    acetone 677.15
    n-butanol 160.97
    acetonitrile 293.11
    DMF 770.7
    toluene 410.17
    isobutanol 132.27
    1,4-dioxane 1082.32
    methyl acetate 433.38
    THF 1107.22
    2-butanone 501.66
    n-pentanol 159.67
    sec-butanol 152.79
    n-hexane 86.21
    ethylene glycol 56.46
    NMP 844.77
    cyclohexane 118.67
    DMSO 757.66
    n-butyl acetate 381.34
    n-octanol 162.36
    chloroform 893.19
    n-propyl acetate 369.15
    acetic acid 218.19
    dichloromethane 831.83
    cyclohexanone 842.68
    propylene glycol 63.88
    isopropyl acetate 331.95
    DMAc 613.78
    2-ethoxyethanol 318.9
    isopentanol 157.57
    n-heptane 103.1
    ethyl formate 253.81
    1,2-dichloroethane 617.43
    n-hexanol 224.76
    2-methoxyethanol 354.84
    isobutyl acetate 275.39
    tetrachloromethane 266.98
    n-pentyl acetate 291.07
    transcutol 828.35
    n-heptanol 155.13
    ethylbenzene 253.12
    MIBK 346.58
    2-propoxyethanol 432.94
    tert-butanol 223.38
    MTBE 320.04
    2-butoxyethanol 291.0
    propionic acid 181.29
    o-xylene 269.57
    formic acid 46.62
    diethyl ether 388.56
    m-xylene 307.37
    p-xylene 298.16
    chlorobenzene 459.75
    dimethyl carbonate 285.3
    n-octane 55.55
    formamide 105.33
    cyclopentanone 1016.03
    2-pentanone 466.16
    anisole 511.4
    cyclopentyl methyl ether 608.43
    gamma-butyrolactone 867.64
    1-methoxy-2-propanol 326.5
    pyridine 591.16
    3-pentanone 408.47
    furfural 811.47
    n-dodecane 42.18
    diethylene glycol 310.44
    diisopropyl ether 209.66
    tert-amyl alcohol 195.05
    acetylacetone 715.21
    n-hexadecane 48.44
    acetophenone 467.79
    methyl propionate 364.17
    isopentyl acetate 339.53
    trichloroethylene 1070.72
    n-nonanol 154.2
    cyclohexanol 260.27
    benzyl alcohol 287.37
    2-ethylhexanol 200.79
    isooctanol 144.86
    dipropyl ether 323.03
    1,2-dichlorobenzene 447.53
    ethyl lactate 170.18
    propylene carbonate 510.64
    n-methylformamide 239.14
    2-pentanol 151.6
    n-pentane 69.9
    1-propoxy-2-propanol 337.91
    1-methoxy-2-propyl acetate 416.42
    2-(2-methoxypropoxy) propanol 281.68
    mesitylene 242.43
    ε-caprolactone 631.15
    p-cymene 181.18
    epichlorohydrin 878.66
    1,1,1-trichloroethane 723.86
    2-aminoethanol 88.61
    morpholine-4-carbaldehyde 960.11
    sulfolane 1098.13
    2,2,4-trimethylpentane 54.03
    2-methyltetrahydrofuran 784.2
    n-hexyl acetate 363.81
    isooctane 52.09
    2-(2-butoxyethoxy)ethanol 381.04
    sec-butyl acetate 275.15
    tert-butyl acetate 414.13
    decalin 95.76
    glycerin 109.26
    diglyme 766.56
    acrylic acid 175.25
    isopropyl myristate 189.23
    n-butyric acid 255.84
    acetyl acetate 367.05
    di(2-ethylhexyl) phthalate 156.31
    ethyl propionate 331.71
    nitromethane 518.52
    1,2-diethoxyethane 475.75
    benzonitrile 358.71
    trioctyl phosphate 125.45
    1-bromopropane 361.58
    gamma-valerolactone 1092.35
    n-decanol 125.74
    triethyl phosphate 190.65
    4-methyl-2-pentanol 126.62
    propionitrile 224.7
    vinylene carbonate 474.53
    1,1,2-trichlorotrifluoroethane 512.44
    DMS 358.93
    cumene 183.78
    2-octanol 132.87
    2-hexanone 400.83
    octyl acetate 212.17
    limonene 237.98
    1,2-dimethoxyethane 726.89
    ethyl orthosilicate 189.67
    tributyl phosphate 142.99
    diacetone alcohol 383.35
    N,N-dimethylaniline 345.41
    acrylonitrile 271.87
    aniline 302.89
    1,3-propanediol 145.52
    bromobenzene 540.76
    dibromomethane 580.25
    1,1,2,2-tetrachloroethane 774.9
    2-methyl-cyclohexyl acetate 278.71
    tetrabutyl urea 201.29
    diisobutyl methanol 156.08
    2-phenylethanol 312.28
    styrene 312.16
    dioctyl adipate 236.07
    dimethyl sulfate 503.03
    ethyl butyrate 319.71
    methyl lactate 197.73
    butyl lactate 191.22
    diethyl carbonate 227.48
    propanediol butyl ether 228.31
    triethyl orthoformate 242.79
    p-tert-butyltoluene 192.9
    methyl 4-tert-butylbenzoate 341.86
    morpholine 785.14
    tert-butylamine 152.77
    n-dodecanol 106.83
    dimethoxymethane 601.58
    ethylene carbonate 405.9
    cyrene 368.65
    2-ethoxyethyl acetate 396.79
    2-ethylhexyl acetate 310.62
    1,2,4-trichlorobenzene 520.44
    4-methylpyridine 608.83
    dibutyl ether 260.99
    2,6-dimethyl-4-heptanol 156.08
    DEF 492.3
    dimethyl isosorbide 572.64
    tetrachloroethylene 571.33
    eugenol 327.46
    triacetin 362.4
    span 80 266.65
    1,4-butanediol 95.58
    1,1-dichloroethane 579.23
    2-methyl-1-pentanol 164.75
    methyl formate 264.02
    2-methyl-1-butanol 149.63
    n-decane 63.12
    butyronitrile 248.34
    3,7-dimethyl-1-octanol 172.68
    1-chlorooctane 177.98
    1-chlorotetradecane 89.48
    n-nonane 64.5
    undecane 49.79
    tert-butylcyclohexane 92.93
    cyclooctane 73.8
    cyclopentanol 281.55
    tetrahydropyran 712.6
    tert-amyl methyl ether 279.51
    2,5,8-trioxanonane 527.54
    1-hexene 187.07
    2-isopropoxyethanol 294.11
    2,2,2-trifluoroethanol 132.2
    methyl butyrate 413.93

    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