4-Bromoaniline

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  • Identifiers

    CAS number
    106-40-1

    Molecular formula
    C6H6BrN

    SMILES
    C1=CC(=CC=C1N)Br

    Safety labels

    Acute Toxic
    Acute Toxic

    Irritant
    Irritant

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Sweet 43.69%
    Floral 43.56%
    Animal 41.57%
    Phenolic 40.38%
    Burnt 31.56%
    Meaty 30.78%
    Smoky 30.49%
    Musty 28.47%
    Fishy 27.1%
    Cheesy 26.79%

     

    Flavor
    Sulfurous 34.7%
    Meaty 34.53%
    Garlic 28.7%
    Phenolic 27.66%
    Egg 27.23%
    Fishy 26.4%
    Onion 26.38%
    Mild 24.07%
    Penetrating 23.15%
    Roasted 21.7%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.3

    pKa est.
    4.21 (weak acid)

    Molecular weight
    172.02 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Melting point expt.

    • 151.5 °F (NTP, 1992)
    • 66-66.5 °C
    • 66 °C

    Boiling point

    • Decomposes (NTP, 1992)
    • 219.7 °C
    • BP: decomposes
    • 223 °C

    Flash point

    • 109.35 ˚C est.

    Solubility expt.

    • less than 1 mg/mL at 73 °F (NTP, 1992)
    • Very soluble in alcohol and ether; insoluble in cold water
    • Solubility in water: poor

  • Synonyms

    • 4-Bromoaniline
    • 106-40-1
    • P-BROMOANILINE
    • Benzenamine, 4-bromo-
    • 4-Bromobenzenamine
    • p-Bromophenylamine
    • Aniline, p-bromo-
    • 4-Bromo-aniline
    • 4-Bromobenzeneamine
    • 4-Bromanilinu
    • 4-Bromo-phenylamine
    • 4-Bromanilinu [Czech]
    • CCRIS 4591
    • HSDB 2194
    • Aniline, p-bromo
    • NSC 7085
    • EINECS 203-393-9
    • MFCD00007822
    • UNII-0RR61TC330
    • BRN 0742031
    • DTXSID7021867
    • AI3-17277
    • ANILINE,4-BROMO
    • 4-Bromoaniline, 97%
    • NSC-7085
    • BROMOANILINE, P-
    • P-BROMOANILINE [MI]
    • 4-BROMOANILINE [HSDB]
    • DTXCID301867
    • 0RR61TC330
    • 4-12-00-01497 (Beilstein Handbook Reference)
    • aniline, 4-bromo-
    • 4-BROMANILINU (CZECH)
    • p-bromo aniline
    • 4-bromophenylamine
    • CAS-106-40-1
    • pBromoaniline
    • 4bromoaniline
    • parabromoaniline
    • 4-brornoaniline
    • 4Bromanilinu
    • p-bromo-aniline
    • pBromophenylamine
    • Aniline, pbromo
    • 4bromobenzenamine
    • para-bromoaniline
    • 4-bromo aniline
    • 4Bromobenzeneamine
    • 4-aminobromobenzene
    • R4 4-bromoaniline
    • Benzenamine, 4bromo
    • 4-bromo-phenyl-amine
    • (4-bromophenyl)-amine
    • P-AMINOBROMOBENZENE
    • SCHEMBL45481
    • MLS002454431
    • BIDD:GT0258
    • CHEMBL57376
    • 4-BROMOANILINE (9CI)
    • 1-AMINO-4-BROMOBENZENE
    • NSC7085
    • HMS3050B09
    • STR00728
    • Tox21_202459
    • Tox21_302910
    • STK286019
    • 4-Bromoaniline, >=99.0% (GC)
    • 4-Bromoaniline, for synthesis, 98%
    • 4-Bromobenzenamine; p-bromophenylamine
    • AKOS000119091
    • PS-3352
    • NCGC00091730-01
    • NCGC00091730-02
    • NCGC00256346-01
    • NCGC00260008-01
    • AC-13468
    • SMR001252237
    • DB-023686
    • B1393
    • NS00021481
    • EN300-19060
    • D95300
    • AC-907/25014110
    • Q412773
    • F2190-0431

  • Applications

    4-Bromoaniline (CAS 106-40-1) is primarily used as an intermediate in the synthesis of color compounds and dyes, notably azo dyes and halogenated aniline derivatives. It serves as a building block for cross-coupling reactions such as Suzuki to prepare biaryl compounds for coatings, inks, and colorants. Additionally, it is used as an intermediate in the manufacture of pharmaceuticals and agrochemicals, and as a building block for organic materials and polymers used in electronics and industrial substrates. Its use is subject to local regulations and formulation controls.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 35.72
    methanol 29.59
    isopropanol 33.0
    water 0.94
    ethyl acetate 60.95
    n-propanol 37.19
    acetone 144.93
    n-butanol 37.16
    acetonitrile 56.99
    DMF 150.27
    toluene 23.04
    isobutanol 25.45
    1,4-dioxane 114.08
    methyl acetate 90.8
    THF 230.42
    2-butanone 118.45
    n-pentanol 34.47
    sec-butanol 34.7
    n-hexane 1.46
    ethylene glycol 13.08
    NMP 106.58
    cyclohexane 1.74
    DMSO 122.55
    n-butyl acetate 53.54
    n-octanol 25.84
    chloroform 60.25
    n-propyl acetate 52.22
    acetic acid 51.59
    dichloromethane 42.77
    cyclohexanone 81.08
    propylene glycol 21.68
    isopropyl acetate 42.04
    DMAc 191.22
    2-ethoxyethanol 71.72
    isopentanol 32.96
    n-heptane 4.4
    ethyl formate 45.68
    1,2-dichloroethane 32.2
    n-hexanol 39.24
    2-methoxyethanol 85.37
    isobutyl acetate 38.6
    tetrachloromethane 11.34
    n-pentyl acetate 38.18
    transcutol 129.3
    n-heptanol 31.0
    ethylbenzene 15.4
    MIBK 44.67
    2-propoxyethanol 76.17
    tert-butanol 45.51
    MTBE 53.11
    2-butoxyethanol 61.09
    propionic acid 36.39
    o-xylene 18.24
    formic acid 21.84
    diethyl ether 40.48
    m-xylene 17.35
    p-xylene 20.27
    chlorobenzene 28.49
    dimethyl carbonate 43.36
    n-octane 2.46
    formamide 42.91
    cyclopentanone 146.18
    2-pentanone 68.58
    anisole 60.26
    cyclopentyl methyl ether 59.98
    gamma-butyrolactone 122.53
    1-methoxy-2-propanol 71.72
    pyridine 87.18
    3-pentanone 55.75
    furfural 113.17
    n-dodecane 2.63
    diethylene glycol 55.58
    diisopropyl ether 14.73
    tert-amyl alcohol 43.87
    acetylacetone 89.95
    n-hexadecane 2.85
    acetophenone 57.76
    methyl propionate 59.41
    isopentyl acetate 47.41
    trichloroethylene 85.98
    n-nonanol 25.45
    cyclohexanol 28.15
    benzyl alcohol 44.78
    2-ethylhexanol 30.95
    isooctanol 27.62
    dipropyl ether 35.79
    1,2-dichlorobenzene 26.43
    ethyl lactate 30.74
    propylene carbonate 62.22
    n-methylformamide 59.25
    2-pentanol 28.46
    n-pentane 1.77
    1-propoxy-2-propanol 61.31
    1-methoxy-2-propyl acetate 66.43
    2-(2-methoxypropoxy) propanol 58.28
    mesitylene 11.17
    ε-caprolactone 70.19
    p-cymene 17.56
    epichlorohydrin 117.76
    1,1,1-trichloroethane 44.41
    2-aminoethanol 24.41
    morpholine-4-carbaldehyde 125.93
    sulfolane 113.39
    2,2,4-trimethylpentane 2.66
    2-methyltetrahydrofuran 97.06
    n-hexyl acetate 38.75
    isooctane 2.24
    2-(2-butoxyethoxy)ethanol 69.17
    sec-butyl acetate 39.6
    tert-butyl acetate 51.29
    decalin 2.59
    glycerin 31.19
    diglyme 125.9
    acrylic acid 36.63
    isopropyl myristate 23.1
    n-butyric acid 44.6
    acetyl acetate 46.01
    di(2-ethylhexyl) phthalate 24.54
    ethyl propionate 39.38
    nitromethane 125.27
    1,2-diethoxyethane 63.8
    benzonitrile 41.41
    trioctyl phosphate 19.16
    1-bromopropane 18.82
    gamma-valerolactone 147.75
    n-decanol 21.21
    triethyl phosphate 24.3
    4-methyl-2-pentanol 23.19
    propionitrile 41.97
    vinylene carbonate 56.94
    1,1,2-trichlorotrifluoroethane 87.84
    DMS 36.95
    cumene 13.15
    2-octanol 22.83
    2-hexanone 62.4
    octyl acetate 28.72
    limonene 22.65
    1,2-dimethoxyethane 121.92
    ethyl orthosilicate 24.4
    tributyl phosphate 19.47
    diacetone alcohol 66.56
    N,N-dimethylaniline 42.73
    acrylonitrile 50.71
    aniline 41.7
    1,3-propanediol 36.77
    bromobenzene 22.55
    dibromomethane 24.88
    1,1,2,2-tetrachloroethane 64.61
    2-methyl-cyclohexyl acetate 39.0
    tetrabutyl urea 29.65
    diisobutyl methanol 22.39
    2-phenylethanol 47.67
    styrene 18.74
    dioctyl adipate 31.88
    dimethyl sulfate 61.79
    ethyl butyrate 43.54
    methyl lactate 37.26
    butyl lactate 33.35
    diethyl carbonate 29.37
    propanediol butyl ether 47.66
    triethyl orthoformate 35.17
    p-tert-butyltoluene 18.35
    methyl 4-tert-butylbenzoate 49.27
    morpholine 107.44
    tert-butylamine 24.99
    n-dodecanol 17.48
    dimethoxymethane 98.43
    ethylene carbonate 44.22
    cyrene 64.39
    2-ethoxyethyl acetate 55.24
    2-ethylhexyl acetate 39.73
    1,2,4-trichlorobenzene 39.0
    4-methylpyridine 77.22
    dibutyl ether 28.54
    2,6-dimethyl-4-heptanol 22.39
    DEF 64.89
    dimethyl isosorbide 96.29
    tetrachloroethylene 37.3
    eugenol 53.68
    triacetin 45.24
    span 80 45.57
    1,4-butanediol 22.34
    1,1-dichloroethane 39.1
    2-methyl-1-pentanol 33.94
    methyl formate 57.74
    2-methyl-1-butanol 31.88
    n-decane 3.73
    butyronitrile 40.51
    3,7-dimethyl-1-octanol 27.98
    1-chlorooctane 14.44
    1-chlorotetradecane 7.52
    n-nonane 3.22
    undecane 3.03
    tert-butylcyclohexane 3.35
    cyclooctane 1.14
    cyclopentanol 38.78
    tetrahydropyran 71.68
    tert-amyl methyl ether 42.34
    2,5,8-trioxanonane 92.96
    1-hexene 8.54
    2-isopropoxyethanol 58.97
    2,2,2-trifluoroethanol 30.87
    methyl butyrate 52.4

    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