Bromethalin

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  • Identifiers

    CAS number
    63333-35-7

    Molecular formula
    C14H7Br3F3N3O4

    SMILES
    CN(C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(F)(F)F)C2=C(C=C(C=C2Br)Br)Br

    Safety labels

    Acute Toxic
    Acute Toxic

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Odorless 58.12%
    Musk 30.34%
    Sweet 26.07%
    Fatty 24.81%
    Grape 23.3%
    Powdery 22.48%
    Dry 22.01%
    Animal 21.28%
    Milky 20.7%
    Savory 19.46%

     

    Flavor
    Bitter 77.49%
    Odorless 49.98%
    Bland 26.9%
    Mild 23.92%
    Sweet-like 20.32%
    Nitrile 19.5%
    Very strong 18.39%
    Bread crust 18.24%
    Cedarleaf 18.18%
    Indole 18.11%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    6.2

    pKa est.
    7.74 (neutral)

    Molecular weight
    577.93 g/mol

    Melting point expt.

    • 150-151 °C

    Flash point

    • 160.19 ˚C est.

    Solubility expt.

    • In water, <0.01 mg/L
    • Insoluble in water
    • Soluble in chloroform, acetone; moderately soluble in aromatic hydrocarbons.
    • In dichloromethane 300-400, chloroform 200-300, methanol 2.3-3.4, heavy aromatic naphtha 1.2-1.3 (all in g/L)

  • Synonyms

    • Bromethalin
    • 63333-35-7
    • Caswell No. 561BB
    • Bromethalin [ISO]
    • Bromethaline [ISO-French]
    • Bromethalin [ANSI:BSI:ISO]
    • HSDB 6570
    • UNII-GM59MTH1FS
    • GM59MTH1FS
    • BRN 3077059
    • N-Methyl-2,4-dinitro-N-(2,4,6-tribromophenyl)-6-(trifluoromethyl)benzenamine
    • BROMETHALIN [MI]
    • BROMETHALIN [HSDB]
    • GLADIATOR RODENTICIDE
    • N-methyl-2,4-dinitro-N-(2,4,6-tribromophenyl)-6-(trifluoromethyl)aniline
    • Bromethaline
    • DTXSID8032590
    • CHEBI:81895
    • Benzenamine, N-methyl-2,4-dinitro-N-(2,4,6-tribromophenyl)-6-(trifluoromethyl)-
    • Vengeance
    • Bromethalin Bait
    • Bromethaline (ISO-French)
    • Benzenamine,N-methyl-2,4-dinitro-N-(2,4,6-tribromophenyl)-6-(trifluoromethyl)-
    • Gold crest vengeance
    • Bromethalin (ANSI:BSI:ISO)
    • Lilly 126714
    • EL 614
    • EPA Pesticide Chemical Code 112802
    • EL-614
    • N-Methyl-2,4-dinitro-N-2,4,6-tribromophenyl(-6)trifluoromethylbenzeneamine
    • 4,6-Dinitro-N-methyl-N-(2,4,6-tribromophenyl)-alpha,alpha,alpha-trifluoro-o-toluidine
    • alpha,alpha,alpha-Trifluoro-N-methyl-4,6-dinitro-N-(2,4,6-tribromophenyl)-o-toluidine
    • o-Toluidine, 4,6-dinitro-N-methyl-N-(2,4,6-tribromophenyl)-alpha,alpha,alpha-trifluoro-
    • SCHEMBL434574
    • CHEMBL1901818
    • DTXCID6012590
    • AKOS040750915
    • CS-3312
    • BENZENAMINE, 2,4-DINITRO-N-METHYL-N-(2,4,6-TRIBROMOPHENYL)-6-(TRIFLUOROMETHYL)-
    • NCGC00163743-01
    • Bromethalin 100 microg/mL in Cyclohexane
    • HY-17526
    • DB-216666
    • NS00007599
    • Bromethalin, PESTANAL(R), analytical standard
    • C18697
    • A917577
    • Q421626
    • 2,4,6-tribromo-N-[2,4-dinitro-6-(trifluoromethyl)phenyl]-N-methylaniline
    • 4,6DinitroNmethylN(2,4,6tribromophenyl)alpha,alpha,alphatrifluorootoluidine
    • alpha,alpha,alphaTrifluoroNmethyl4,6dinitroN(2,4,6tribromophenyl)otoluidine
    • Benzenamine, Nmethyl2,4dinitroN(2,4,6tribromophenyl)6(trifluoromethyl)
    • NMethyl2,4dinitroN(2,4,6tribromophenyl)6(trifluoromethyl)benzenamine
    • Benzenamine, N-methyl-2,4-dinitro-N-(2,4,6-tribromophenyl)-6-(trifluoromethyl)-(9CI)
    • Benzenamine, Nmethyl2,4dinitroN(2,4,6tribromophenyl)6(trifluoromethyl) (9CI)
    • N-METHYL-2,4-DINITRO- N-(2,4,6-TRIBROMOPHENYL)-6-(TRIFLUOROMETHYL) ANILINE
    • N-METHYL-2,4-DINITRO-N-(2,4,6-TRIBROMOPHENYL)-6-(TRIFLUOROMETHYL) ANILINE
    • oToluidine, 4,6dinitroNmethylN(2,4,6tribromophenyl)alpha,alpha,alphatrifluoro
    • 613-202-4

  • Applications

    Bromethalin is primarily used as the active ingredient in rodenticide baits to control rats and other rodents across agricultural, commercial, and urban settings. It is formulated into bait stations and attractant-based formulations for professional pest management operators, including storage facilities, grain handling, and food-processing environments to protect commodities from rodent damage and contamination. Typical applications include pest control in farms, warehouses, retail and office buildings, and distribution centers to minimize infestations. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 26.75
    methanol 36.21
    isopropanol 12.46
    water 0.04
    ethyl acetate 63.17
    n-propanol 20.63
    acetone 76.69
    n-butanol 14.78
    acetonitrile 44.26
    DMF 254.38
    toluene 28.32
    isobutanol 12.05
    1,4-dioxane 97.52
    methyl acetate 77.01
    THF 229.39
    2-butanone 66.22
    n-pentanol 14.07
    sec-butanol 14.79
    n-hexane 1.72
    ethylene glycol 12.44
    NMP 303.14
    cyclohexane 2.23
    DMSO 182.58
    n-butyl acetate 48.85
    n-octanol 9.25
    chloroform 58.54
    n-propyl acetate 54.39
    acetic acid 57.81
    dichloromethane 77.3
    cyclohexanone 72.42
    propylene glycol 13.31
    isopropyl acetate 41.01
    DMAc 216.44
    2-ethoxyethanol 60.38
    isopentanol 10.59
    n-heptane 3.52
    ethyl formate 45.52
    1,2-dichloroethane 46.16
    n-hexanol 17.1
    2-methoxyethanol 95.34
    isobutyl acetate 27.12
    tetrachloromethane 5.06
    n-pentyl acetate 33.6
    transcutol 101.04
    n-heptanol 11.46
    ethylbenzene 16.21
    MIBK 30.13
    2-propoxyethanol 73.72
    tert-butanol 11.51
    MTBE 25.7
    2-butoxyethanol 38.13
    propionic acid 34.29
    o-xylene 18.35
    formic acid 41.38
    diethyl ether 42.22
    m-xylene 17.67
    p-xylene 14.16
    chlorobenzene 23.54
    dimethyl carbonate 77.77
    n-octane 1.33
    formamide 74.94
    cyclopentanone 140.81
    2-pentanone 55.1
    anisole 58.22
    cyclopentyl methyl ether 78.33
    gamma-butyrolactone 177.7
    1-methoxy-2-propanol 67.04
    pyridine 99.83
    3-pentanone 49.43
    furfural 178.31
    n-dodecane 1.11
    diethylene glycol 51.48
    diisopropyl ether 11.33
    tert-amyl alcohol 14.47
    acetylacetone 99.0
    n-hexadecane 1.28
    acetophenone 64.66
    methyl propionate 81.5
    isopentyl acetate 32.81
    trichloroethylene 101.39
    n-nonanol 10.29
    cyclohexanol 15.39
    benzyl alcohol 35.83
    2-ethylhexanol 13.88
    isooctanol 8.76
    dipropyl ether 35.56
    1,2-dichlorobenzene 24.3
    ethyl lactate 38.26
    propylene carbonate 82.33
    n-methylformamide 102.3
    2-pentanol 10.98
    n-pentane 2.18
    1-propoxy-2-propanol 51.46
    1-methoxy-2-propyl acetate 83.42
    2-(2-methoxypropoxy) propanol 49.49
    mesitylene 8.56
    ε-caprolactone 83.65
    p-cymene 13.76
    epichlorohydrin 186.09
    1,1,1-trichloroethane 26.02
    2-aminoethanol 20.65
    morpholine-4-carbaldehyde 246.59
    sulfolane 203.6
    2,2,4-trimethylpentane 1.25
    2-methyltetrahydrofuran 97.05
    n-hexyl acetate 31.87
    isooctane 0.66
    2-(2-butoxyethoxy)ethanol 49.47
    sec-butyl acetate 35.04
    tert-butyl acetate 43.81
    decalin 1.82
    glycerin 25.25
    diglyme 109.89
    acrylic acid 47.63
    isopropyl myristate 15.91
    n-butyric acid 33.41
    acetyl acetate 51.3
    di(2-ethylhexyl) phthalate 21.54
    ethyl propionate 56.1
    nitromethane 186.13
    1,2-diethoxyethane 51.14
    benzonitrile 34.88
    trioctyl phosphate 12.3
    1-bromopropane 27.48
    gamma-valerolactone 219.1
    n-decanol 8.26
    triethyl phosphate 25.09
    4-methyl-2-pentanol 6.62
    propionitrile 31.04
    vinylene carbonate 78.73
    1,1,2-trichlorotrifluoroethane 124.31
    DMS 61.83
    cumene 9.32
    2-octanol 7.75
    2-hexanone 42.84
    octyl acetate 21.92
    limonene 18.75
    1,2-dimethoxyethane 119.75
    ethyl orthosilicate 22.56
    tributyl phosphate 14.65
    diacetone alcohol 47.43
    N,N-dimethylaniline 42.9
    acrylonitrile 55.24
    aniline 34.28
    1,3-propanediol 22.81
    bromobenzene 22.97
    dibromomethane 42.92
    1,1,2,2-tetrachloroethane 66.94
    2-methyl-cyclohexyl acetate 38.31
    tetrabutyl urea 27.06
    diisobutyl methanol 7.64
    2-phenylethanol 37.79
    styrene 19.45
    dioctyl adipate 30.5
    dimethyl sulfate 120.99
    ethyl butyrate 47.77
    methyl lactate 58.92
    butyl lactate 29.82
    diethyl carbonate 33.21
    propanediol butyl ether 24.92
    triethyl orthoformate 36.24
    p-tert-butyltoluene 12.47
    methyl 4-tert-butylbenzoate 49.54
    morpholine 116.75
    tert-butylamine 6.68
    n-dodecanol 6.54
    dimethoxymethane 170.95
    ethylene carbonate 53.87
    cyrene 84.93
    2-ethoxyethyl acetate 68.86
    2-ethylhexyl acetate 30.27
    1,2,4-trichlorobenzene 35.38
    4-methylpyridine 79.44
    dibutyl ether 15.73
    2,6-dimethyl-4-heptanol 7.64
    DEF 95.54
    dimethyl isosorbide 117.32
    tetrachloroethylene 39.03
    eugenol 51.08
    triacetin 61.6
    span 80 37.47
    1,4-butanediol 11.22
    1,1-dichloroethane 30.45
    2-methyl-1-pentanol 11.55
    methyl formate 97.97
    2-methyl-1-butanol 12.8
    n-decane 1.76
    butyronitrile 25.37
    3,7-dimethyl-1-octanol 9.1
    1-chlorooctane 7.24
    1-chlorotetradecane 3.63
    n-nonane 1.53
    undecane 1.37
    tert-butylcyclohexane 1.44
    cyclooctane 1.21
    cyclopentanol 27.32
    tetrahydropyran 60.49
    tert-amyl methyl ether 30.3
    2,5,8-trioxanonane 83.75
    1-hexene 8.51
    2-isopropoxyethanol 38.46
    2,2,2-trifluoroethanol 28.01
    methyl butyrate 61.01

    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