Monobromostyrene (mixed isomers)

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  • Identifiers

    CAS number
    1335-06-4

    Molecular formula
    C8H7Br

    SMILES
    C1=CC=C(C=C1)C=CBr

  • Odor profile

    Fragrance
    Green 79.34%
    Leafy 41.4%
    Vegetable 36.47%
    Hyacinth 36.31%
    Spicy 35.78%
    Floral 33.64%
    Radish 31.79%
    Pungent 29.31%
    Herbal 26.33%
    Geranium 25.88%

     

    Flavor
    Sweet 46.93%
    Balsam 36.19%
    Cinnamon 32.83%
    Spice 25.88%
    Floral 25.19%
    Balsamic 23.31%
    Nitrile 23.22%
    Spicy 22.64%
    Red hots 22.23%
    Green 21.97%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.9

    pKa est.
    6.0 (neutral)

    Molecular weight
    183.04 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    222°C

    Flash point

    • 86.36 ˚C est.

  • Synonyms

    • Benzene, bromoethenyl-
    • 2-bromoethenylbenzene
    • Bromostyrene
    • 1335-06-4
    • (2-Bromo-vinyl)-benzene
    • 2-Phenylethenyl bromide
    • 588-72-7
    • DTXSID501014586
    • L50CQ41322
    • beta-bromo styrene
    • PhCH=CHBr
    • AR-BROMOSTYRENE
    • AB00116
    • MONOBROMOSTYRENE (MIXED ISOMERS)
    • DB-040473
    • 215-617-2

  • Applications

    Monobromostyrene (mixed isomers) is primarily used as an organic synthesis intermediate and a reactive monomer for halogenated polymers and copolymers, enabling post‑polymerization functionalization at the aryl bromide site. It serves as a building block in industrial manufacturing for dyes and other specialty chemicals, and as a precursor for pharmaceutical intermediates. In coatings and inks, it can be incorporated into resins to impart functionality and adhesion properties. It is also used in research and development as a starting material for the preparation of functionalized aromatic compounds. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 75.41
    methanol 41.93
    isopropanol 61.93
    water 0.12
    ethyl acetate 267.7
    n-propanol 78.9
    acetone 376.07
    n-butanol 84.74
    acetonitrile 146.67
    DMF 249.39
    toluene 463.12
    isobutanol 67.33
    1,4-dioxane 563.49
    methyl acetate 225.98
    THF 788.31
    2-butanone 275.73
    n-pentanol 87.76
    sec-butanol 76.46
    n-hexane 85.93
    ethylene glycol 19.4
    NMP 304.46
    cyclohexane 220.88
    DMSO 341.01
    n-butyl acetate 279.64
    n-octanol 93.98
    chloroform 778.8
    n-propyl acetate 212.11
    acetic acid 125.46
    dichloromethane 812.73
    cyclohexanone 466.79
    propylene glycol 24.61
    isopropyl acetate 179.6
    DMAc 212.37
    2-ethoxyethanol 130.88
    isopentanol 85.71
    n-heptane 129.12
    ethyl formate 116.95
    1,2-dichloroethane 544.7
    n-hexanol 131.48
    2-methoxyethanol 139.86
    isobutyl acetate 178.04
    tetrachloromethane 194.69
    n-pentyl acetate 175.78
    transcutol 616.01
    n-heptanol 86.45
    ethylbenzene 207.9
    MIBK 183.14
    2-propoxyethanol 190.7
    tert-butanol 100.41
    MTBE 194.58
    2-butoxyethanol 141.64
    propionic acid 84.0
    o-xylene 220.9
    formic acid 20.49
    diethyl ether 287.78
    m-xylene 254.09
    p-xylene 221.86
    chlorobenzene 382.9
    dimethyl carbonate 128.61
    n-octane 51.77
    formamide 48.52
    cyclopentanone 531.26
    2-pentanone 258.41
    anisole 326.62
    cyclopentyl methyl ether 394.72
    gamma-butyrolactone 420.39
    1-methoxy-2-propanol 119.32
    pyridine 605.87
    3-pentanone 231.21
    furfural 401.11
    n-dodecane 36.25
    diethylene glycol 113.95
    diisopropyl ether 138.93
    tert-amyl alcohol 97.76
    acetylacetone 361.19
    n-hexadecane 41.9
    acetophenone 265.73
    methyl propionate 195.85
    isopentyl acetate 233.0
    trichloroethylene 963.6
    n-nonanol 92.78
    cyclohexanol 158.48
    benzyl alcohol 162.28
    2-ethylhexanol 135.84
    isooctanol 84.43
    dipropyl ether 272.26
    1,2-dichlorobenzene 304.91
    ethyl lactate 76.25
    propylene carbonate 254.83
    n-methylformamide 87.34
    2-pentanol 81.97
    n-pentane 73.36
    1-propoxy-2-propanol 177.99
    1-methoxy-2-propyl acetate 238.8
    2-(2-methoxypropoxy) propanol 173.8
    mesitylene 169.51
    ε-caprolactone 329.2
    p-cymene 148.7
    epichlorohydrin 579.42
    1,1,1-trichloroethane 522.84
    2-aminoethanol 34.16
    morpholine-4-carbaldehyde 342.71
    sulfolane 450.71
    2,2,4-trimethylpentane 42.41
    2-methyltetrahydrofuran 538.27
    n-hexyl acetate 205.31
    isooctane 42.91
    2-(2-butoxyethoxy)ethanol 229.01
    sec-butyl acetate 171.7
    tert-butyl acetate 228.37
    decalin 98.58
    glycerin 40.08
    diglyme 462.62
    acrylic acid 90.26
    isopropyl myristate 122.72
    n-butyric acid 132.09
    acetyl acetate 219.24
    di(2-ethylhexyl) phthalate 102.63
    ethyl propionate 177.25
    nitromethane 229.21
    1,2-diethoxyethane 364.55
    benzonitrile 223.95
    trioctyl phosphate 74.48
    1-bromopropane 353.64
    gamma-valerolactone 458.44
    n-decanol 75.99
    triethyl phosphate 115.23
    4-methyl-2-pentanol 68.83
    propionitrile 119.67
    vinylene carbonate 230.18
    1,1,2-trichlorotrifluoroethane 284.02
    DMS 202.88
    cumene 127.14
    2-octanol 70.91
    2-hexanone 230.12
    octyl acetate 132.21
    limonene 203.33
    1,2-dimethoxyethane 345.3
    ethyl orthosilicate 119.38
    tributyl phosphate 86.39
    diacetone alcohol 181.23
    N,N-dimethylaniline 211.88
    acrylonitrile 138.26
    aniline 238.08
    1,3-propanediol 52.08
    bromobenzene 508.68
    dibromomethane 617.41
    1,1,2,2-tetrachloroethane 656.7
    2-methyl-cyclohexyl acetate 196.77
    tetrabutyl urea 123.59
    diisobutyl methanol 106.62
    2-phenylethanol 186.6
    styrene 275.42
    dioctyl adipate 165.61
    dimethyl sulfate 193.01
    ethyl butyrate 232.61
    methyl lactate 74.09
    butyl lactate 100.79
    diethyl carbonate 153.27
    propanediol butyl ether 102.49
    triethyl orthoformate 178.66
    p-tert-butyltoluene 147.89
    methyl 4-tert-butylbenzoate 202.78
    morpholine 436.9
    tert-butylamine 83.06
    n-dodecanol 67.21
    dimethoxymethane 269.12
    ethylene carbonate 184.67
    cyrene 187.55
    2-ethoxyethyl acetate 239.35
    2-ethylhexyl acetate 223.33
    1,2,4-trichlorobenzene 355.23
    4-methylpyridine 451.11
    dibutyl ether 207.75
    2,6-dimethyl-4-heptanol 106.62
    DEF 216.1
    dimethyl isosorbide 358.23
    tetrachloroethylene 486.52
    eugenol 178.33
    triacetin 209.57
    span 80 169.72
    1,4-butanediol 33.12
    1,1-dichloroethane 430.09
    2-methyl-1-pentanol 97.61
    methyl formate 97.12
    2-methyl-1-butanol 82.07
    n-decane 53.73
    butyronitrile 133.21
    3,7-dimethyl-1-octanol 114.23
    1-chlorooctane 133.73
    1-chlorotetradecane 69.74
    n-nonane 57.17
    undecane 42.13
    tert-butylcyclohexane 74.82
    cyclooctane 101.9
    cyclopentanol 151.13
    tetrahydropyran 567.06
    tert-amyl methyl ether 168.02
    2,5,8-trioxanonane 348.12
    1-hexene 167.31
    2-isopropoxyethanol 131.51
    2,2,2-trifluoroethanol 50.53
    methyl butyrate 208.01

    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