1,2,4-Tribromobenzene

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  • Identifiers

    CAS number
    615-54-3

    Molecular formula
    C6H3Br3

    SMILES
    C1=CC(=C(C=C1Br)Br)Br

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Phenolic 35.58%
    Burnt 34.65%
    Meaty 34.63%
    Animal 29.39%
    Odorless 28.36%
    Smoky 28.01%
    Roasted 26.25%
    Musty 22.93%
    Savory 21.33%
    Sweet 21.28%

     

    Flavor
    Bitter 32.51%
    Mild 25.77%
    Odorless 24.15%
    Meaty 23.66%
    Very strong 20.5%
    Nitrile 20.43%
    Roasted 20.08%
    Scallion 20.07%
    Indole 20.06%
    Rotten 19.64%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.3

    pKa est.
    4.64 (weak acid)

    Molecular weight
    314.8 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    273°C

    Flash point

    • 113.4 ˚C est.

  • Synonyms

    • 1,2,4-TRIBROMOBENZENE
    • 615-54-3
    • Benzene, 1,2,4-tribromo-
    • EINECS 210-433-9
    • EOE1KFC260
    • NSC 62440
    • DTXSID5024346
    • AI3-18131
    • MFCD00000062
    • NSC-62440
    • DTXCID604346
    • CAS-615-54-3
    • UNII-EOE1KFC260
    • NSC62440
    • 1,2,4-Tribomobenzene
    • Benzene,2,4-tribromo-
    • NCIOpen2_008043
    • SCHEMBL354986
    • CHEMBL3182885
    • 1,2,4-Tribromobenzene, 95%
    • Tox21_201862
    • Tox21_303231
    • AKOS000202446
    • NCGC00164056-01
    • NCGC00164056-02
    • NCGC00257054-01
    • NCGC00259411-01
    • AS-19311
    • SY049331
    • CS-0157156
    • NS00034725
    • T0346
    • Q27277271
    • InChI=1/C6H3Br3/c7-4-1-2-5(8)6(9)3-4/h1-3
    • 210-433-9

  • Applications

    1,2,4-Tribromobenzene, CAS 615-54-3, is primarily used as a reactive intermediate in organic synthesis. It serves as a building block for preparing other aryl brominated compounds via cross-coupling, enabling production of dyes and pigments and other specialty intermediates. It is also a starting point for aryl brominated motifs in materials for electronics and optics, such as components for liquid-crystal-based formulations and related organic semiconductor/OLED chemistries. Additionally, it can be incorporated into polymer or resin formulations as a derivatizable aryl unit for crosslinking or functionalization. In research and development, it supports exploration of aryl brom building blocks for advanced materials, with handling and use aligned with current regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4.48
    methanol 2.32
    isopropanol 4.9
    water 0.08
    ethyl acetate 30.47
    n-propanol 6.21
    acetone 29.8
    n-butanol 6.98
    acetonitrile 11.54
    DMF 44.68
    toluene 46.91
    isobutanol 5.74
    1,4-dioxane 94.46
    methyl acetate 33.2
    THF 119.28
    2-butanone 36.63
    n-pentanol 10.21
    sec-butanol 8.57
    n-hexane 5.88
    ethylene glycol 1.8
    NMP 92.57
    cyclohexane 9.43
    DMSO 35.5
    n-butyl acetate 49.42
    n-octanol 17.81
    chloroform 66.91
    n-propyl acetate 40.28
    acetic acid 10.63
    dichloromethane 55.04
    cyclohexanone 60.99
    propylene glycol 2.48
    isopropyl acetate 38.25
    DMAc 81.35
    2-ethoxyethanol 26.76
    isopentanol 9.07
    n-heptane 14.22
    ethyl formate 15.57
    1,2-dichloroethane 39.61
    n-hexanol 15.67
    2-methoxyethanol 21.2
    isobutyl acetate 36.47
    tetrachloromethane 19.9
    n-pentyl acetate 41.03
    transcutol 114.9
    n-heptanol 14.25
    ethylbenzene 43.39
    MIBK 37.04
    2-propoxyethanol 37.73
    tert-butanol 10.97
    MTBE 34.3
    2-butoxyethanol 30.07
    propionic acid 8.29
    o-xylene 48.27
    formic acid 2.76
    diethyl ether 29.46
    m-xylene 43.86
    p-xylene 52.76
    chlorobenzene 39.53
    dimethyl carbonate 23.53
    n-octane 8.46
    formamide 8.26
    cyclopentanone 78.66
    2-pentanone 32.94
    anisole 91.43
    cyclopentyl methyl ether 70.23
    gamma-butyrolactone 73.81
    1-methoxy-2-propanol 21.74
    pyridine 62.41
    3-pentanone 36.73
    furfural 84.64
    n-dodecane 7.67
    diethylene glycol 19.49
    diisopropyl ether 28.13
    tert-amyl alcohol 16.03
    acetylacetone 69.26
    n-hexadecane 9.24
    acetophenone 81.9
    methyl propionate 28.36
    isopentyl acetate 57.85
    trichloroethylene 97.61
    n-nonanol 20.49
    cyclohexanol 15.81
    benzyl alcohol 30.79
    2-ethylhexanol 24.67
    isooctanol 15.4
    dipropyl ether 49.4
    1,2-dichlorobenzene 49.54
    ethyl lactate 18.06
    propylene carbonate 44.88
    n-methylformamide 12.74
    2-pentanol 9.15
    n-pentane 4.47
    1-propoxy-2-propanol 36.52
    1-methoxy-2-propyl acetate 70.06
    2-(2-methoxypropoxy) propanol 59.05
    mesitylene 40.35
    ε-caprolactone 61.36
    p-cymene 44.35
    epichlorohydrin 92.86
    1,1,1-trichloroethane 59.39
    2-aminoethanol 3.83
    morpholine-4-carbaldehyde 105.97
    sulfolane 92.38
    2,2,4-trimethylpentane 7.54
    2-methyltetrahydrofuran 85.31
    n-hexyl acetate 46.13
    isooctane 6.33
    2-(2-butoxyethoxy)ethanol 56.04
    sec-butyl acetate 42.89
    tert-butyl acetate 66.53
    decalin 15.35
    glycerin 4.8
    diglyme 122.57
    acrylic acid 9.41
    isopropyl myristate 40.75
    n-butyric acid 11.6
    acetyl acetate 39.63
    di(2-ethylhexyl) phthalate 30.92
    ethyl propionate 37.47
    nitromethane 32.84
    1,2-diethoxyethane 91.14
    benzonitrile 37.83
    trioctyl phosphate 20.69
    1-bromopropane 25.07
    gamma-valerolactone 103.09
    n-decanol 17.74
    triethyl phosphate 39.93
    4-methyl-2-pentanol 10.5
    propionitrile 11.91
    vinylene carbonate 38.8
    1,1,2-trichlorotrifluoroethane 65.08
    DMS 53.77
    cumene 35.06
    2-octanol 15.11
    2-hexanone 46.56
    octyl acetate 36.75
    limonene 54.4
    1,2-dimethoxyethane 80.78
    ethyl orthosilicate 42.73
    tributyl phosphate 25.98
    diacetone alcohol 44.25
    N,N-dimethylaniline 77.78
    acrylonitrile 15.82
    aniline 28.08
    1,3-propanediol 6.25
    bromobenzene 50.53
    dibromomethane 38.02
    1,1,2,2-tetrachloroethane 78.42
    2-methyl-cyclohexyl acetate 69.25
    tetrabutyl urea 41.97
    diisobutyl methanol 25.1
    2-phenylethanol 42.3
    styrene 45.2
    dioctyl adipate 52.93
    dimethyl sulfate 46.71
    ethyl butyrate 54.91
    methyl lactate 15.15
    butyl lactate 26.27
    diethyl carbonate 36.76
    propanediol butyl ether 20.87
    triethyl orthoformate 53.12
    p-tert-butyltoluene 47.6
    methyl 4-tert-butylbenzoate 70.96
    morpholine 67.33
    tert-butylamine 9.09
    n-dodecanol 15.87
    dimethoxymethane 48.06
    ethylene carbonate 29.53
    cyrene 67.68
    2-ethoxyethyl acetate 64.82
    2-ethylhexyl acetate 57.95
    1,2,4-trichlorobenzene 72.51
    4-methylpyridine 61.07
    dibutyl ether 45.43
    2,6-dimethyl-4-heptanol 25.1
    DEF 50.66
    dimethyl isosorbide 162.46
    tetrachloroethylene 49.02
    eugenol 62.98
    triacetin 66.19
    span 80 42.72
    1,4-butanediol 4.53
    1,1-dichloroethane 32.16
    2-methyl-1-pentanol 14.75
    methyl formate 14.36
    2-methyl-1-butanol 8.91
    n-decane 11.44
    butyronitrile 12.92
    3,7-dimethyl-1-octanol 25.33
    1-chlorooctane 26.63
    1-chlorotetradecane 16.57
    n-nonane 10.31
    undecane 9.04
    tert-butylcyclohexane 14.97
    cyclooctane 9.28
    cyclopentanol 17.82
    tetrahydropyran 58.68
    tert-amyl methyl ether 45.12
    2,5,8-trioxanonane 104.4
    1-hexene 14.22
    2-isopropoxyethanol 29.35
    2,2,2-trifluoroethanol 9.41
    methyl butyrate 40.75

    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