5'-Bromo-2'-hydroxyacetophenone

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  • Identifiers

    CAS number
    1450-75-5

    Molecular formula
    C8H7BrO2

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sweet 79.85%
    Phenolic 57.31%
    Vanilla 50.77%
    Floral 49.94%
    Powdery 42.64%
    Spicy 41.84%
    Balsamic 41.58%
    Hawthorn 41.05%
    Bitter 38.77%
    Cherry 38.08%

     

    Flavor
    Phenolic 45.6%
    Sweet 41.81%
    Bitter 38.95%
    Mild 38.86%
    Nutty 28.8%
    Odorless 27.81%
    Powdery 26.77%
    Hawthorn 25.04%
    Honey 22.45%
    Orange flower 22.07%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    8.19 (weak base)

    Molecular weight
    215.04 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    288°C

    Flash point

    • 122.88 ˚C est.

  • Synonyms

    • 1450-75-5
    • 5'-Bromo-2'-hydroxyacetophenone
    • 1-(5-Bromo-2-hydroxyphenyl)ethanone
    • 2-Acetyl-4-bromophenol
    • Ethanone, 1-(5-bromo-2-hydroxyphenyl)-
    • 2'-Hydroxy-5'-bromoacetophenone
    • BRN 2045140
    • DTXSID50162864
    • 4-08-00-00328 (Beilstein Handbook Reference)
    • NSC 46621
    • 1-[5-Bromo-2-hydroxyphenyl]ethanone
    • RefChem:100759
    • DTXCID2085355
    • Acetophenone, 5'-bromo-2'-hydroxy-(6CI,7CI,8CI)
    • 604-457-2
    • InChI=1/C8H7BrO2/c1-5(10)7-4-6(9)2-3-8(7)11/h2-4,11H,1H
    • 5-bromo-2-hydroxyacetophenone
    • 1-(5-bromo-2-hydroxyphenyl)ethan-1-one
    • MFCD00191850
    • 2-hydroxy-5-bromoacetophenone
    • 5-bromo-2-hydroxy acetophenone
    • 1-acetyl-5-bromo-2-hydroxybenzene
    • NSC46621
    • Acetophenone, 5'-bromo-2'-hydroxy- (6CI,7CI,8CI)
    • 1-(5-bromo-2-hydroxy-phenyl)ethanone
    • SCHEMBL309016
    • CHEMBL4469150
    • CK2552
    • NSC-46621
    • SBB042578
    • STL253529
    • Acetophenone, 5'-bromo-2'-hydroxy-
    • AKOS000112340
    • 1-(5-bromo-2-hydroxyphenyl) ethanone
    • 1-(5-bromo-2-hydroxyphenyl)-ethanone
    • AB04623
    • AC-8266
    • CS-W007495
    • FB34470
    • FS-1294
    • 1-(5-bromo-2-hydroxy-phenyl)-ethanone
    • 5'-Bromo-2'-hydroxyacetophenone, 98%
    • SY018236
    • DB-010015
    • NS00024719
    • ST45238962
    • EN300-21489
    • AE-641/03312016
    • F012070
    • Z104500026
    • 5 inverted exclamation mark -Bromo-2 inverted exclamation mark -hydroxyacetophenone
    • 1450-75-5

  • Applications

    5'-Bromo-2'-hydroxyacetophenone (CAS 1450-75-5) is primarily used as an organic synthesis intermediate. It serves as a reactive aryl bromide for cross-coupling reactions (e.g., Suzuki–Miyaura, Sonogashira) to construct more complex aromatic compounds. It is commonly used in pharmaceutical and agrochemical research as a precursor to target molecules. In the fragrance field, it may be used as a fragrance intermediate or precursor. In polymer and coating research, it is used as a building block for functionalized aromatics. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 113.19
    methanol 107.43
    isopropanol 108.25
    water 8.05
    ethyl acetate 139.02
    n-propanol 102.22
    acetone 324.61
    n-butanol 91.85
    acetonitrile 114.28
    DMF 591.98
    toluene 63.65
    isobutanol 82.37
    1,4-dioxane 303.55
    methyl acetate 165.93
    THF 554.78
    2-butanone 195.59
    n-pentanol 90.21
    sec-butanol 103.54
    n-hexane 14.54
    ethylene glycol 103.15
    NMP 377.01
    cyclohexane 9.11
    DMSO 565.51
    n-butyl acetate 84.82
    n-octanol 79.87
    chloroform 167.19
    n-propyl acetate 113.65
    acetic acid 100.29
    dichloromethane 166.88
    cyclohexanone 204.68
    propylene glycol 88.98
    isopropyl acetate 111.31
    DMAc 460.28
    2-ethoxyethanol 221.49
    isopentanol 84.62
    n-heptane 16.47
    ethyl formate 104.4
    1,2-dichloroethane 140.12
    n-hexanol 95.85
    2-methoxyethanol 330.31
    isobutyl acetate 84.2
    tetrachloromethane 45.79
    n-pentyl acetate 80.3
    transcutol 243.29
    n-heptanol 72.88
    ethylbenzene 54.81
    MIBK 128.52
    2-propoxyethanol 228.79
    tert-butanol 146.92
    MTBE 134.06
    2-butoxyethanol 136.89
    propionic acid 91.82
    o-xylene 62.99
    formic acid 66.32
    diethyl ether 125.82
    m-xylene 72.47
    p-xylene 69.98
    chlorobenzene 77.2
    dimethyl carbonate 130.02
    n-octane 11.56
    formamide 131.6
    cyclopentanone 352.3
    2-pentanone 173.22
    anisole 159.77
    cyclopentyl methyl ether 195.57
    gamma-butyrolactone 311.45
    1-methoxy-2-propanol 272.3
    pyridine 131.32
    3-pentanone 139.01
    furfural 256.59
    n-dodecane 12.77
    diethylene glycol 251.42
    diisopropyl ether 60.52
    tert-amyl alcohol 124.39
    acetylacetone 271.31
    n-hexadecane 14.1
    acetophenone 142.51
    methyl propionate 156.29
    isopentyl acetate 84.21
    trichloroethylene 221.1
    n-nonanol 73.27
    cyclohexanol 99.68
    benzyl alcohol 111.49
    2-ethylhexanol 65.71
    isooctanol 63.27
    dipropyl ether 82.16
    1,2-dichlorobenzene 80.95
    ethyl lactate 88.89
    propylene carbonate 150.12
    n-methylformamide 188.44
    2-pentanol 87.66
    n-pentane 12.91
    1-propoxy-2-propanol 143.81
    1-methoxy-2-propyl acetate 135.59
    2-(2-methoxypropoxy) propanol 121.02
    mesitylene 52.69
    ε-caprolactone 163.66
    p-cymene 44.58
    epichlorohydrin 313.53
    1,1,1-trichloroethane 149.74
    2-aminoethanol 111.66
    morpholine-4-carbaldehyde 377.84
    sulfolane 423.08
    2,2,4-trimethylpentane 12.25
    2-methyltetrahydrofuran 236.88
    n-hexyl acetate 102.63
    isooctane 11.98
    2-(2-butoxyethoxy)ethanol 154.39
    sec-butyl acetate 85.99
    tert-butyl acetate 137.82
    decalin 15.67
    glycerin 150.18
    diglyme 254.11
    acrylic acid 91.4
    isopropyl myristate 59.62
    n-butyric acid 95.74
    acetyl acetate 112.84
    di(2-ethylhexyl) phthalate 58.16
    ethyl propionate 110.37
    nitromethane 253.75
    1,2-diethoxyethane 109.45
    benzonitrile 98.83
    trioctyl phosphate 50.22
    1-bromopropane 79.59
    gamma-valerolactone 366.58
    n-decanol 59.97
    triethyl phosphate 62.68
    4-methyl-2-pentanol 68.82
    propionitrile 93.7
    vinylene carbonate 130.49
    1,1,2-trichlorotrifluoroethane 237.13
    DMS 103.18
    cumene 47.99
    2-octanol 64.33
    2-hexanone 136.55
    octyl acetate 70.55
    limonene 57.18
    1,2-dimethoxyethane 323.15
    ethyl orthosilicate 58.97
    tributyl phosphate 50.95
    diacetone alcohol 183.47
    N,N-dimethylaniline 122.28
    acrylonitrile 120.85
    aniline 92.19
    1,3-propanediol 141.89
    bromobenzene 71.92
    dibromomethane 107.54
    1,1,2,2-tetrachloroethane 186.16
    2-methyl-cyclohexyl acetate 80.67
    tetrabutyl urea 73.15
    diisobutyl methanol 54.02
    2-phenylethanol 108.23
    styrene 63.16
    dioctyl adipate 72.5
    dimethyl sulfate 251.47
    ethyl butyrate 82.61
    methyl lactate 128.93
    butyl lactate 73.6
    diethyl carbonate 63.35
    propanediol butyl ether 129.02
    triethyl orthoformate 66.45
    p-tert-butyltoluene 47.23
    methyl 4-tert-butylbenzoate 121.75
    morpholine 269.88
    tert-butylamine 88.26
    n-dodecanol 49.94
    dimethoxymethane 355.46
    ethylene carbonate 110.14
    cyrene 163.7
    2-ethoxyethyl acetate 105.56
    2-ethylhexyl acetate 70.93
    1,2,4-trichlorobenzene 98.21
    4-methylpyridine 144.06
    dibutyl ether 66.36
    2,6-dimethyl-4-heptanol 54.02
    DEF 203.14
    dimethyl isosorbide 203.82
    tetrachloroethylene 126.33
    eugenol 132.16
    triacetin 108.09
    span 80 104.92
    1,4-butanediol 90.95
    1,1-dichloroethane 136.42
    2-methyl-1-pentanol 83.29
    methyl formate 175.84
    2-methyl-1-butanol 81.15
    n-decane 18.08
    butyronitrile 87.32
    3,7-dimethyl-1-octanol 69.09
    1-chlorooctane 53.39
    1-chlorotetradecane 30.03
    n-nonane 16.69
    undecane 14.89
    tert-butylcyclohexane 18.75
    cyclooctane 6.97
    cyclopentanol 133.67
    tetrahydropyran 177.83
    tert-amyl methyl ether 115.68
    2,5,8-trioxanonane 200.51
    1-hexene 45.75
    2-isopropoxyethanol 165.54
    2,2,2-trifluoroethanol 93.87
    methyl butyrate 131.64

    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