Halauxifen-methyl

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  • Identifiers

    CAS number
    943831-98-9

    Molecular formula
    C14H11Cl2FN2O3

    SMILES
    COC1=C(C=CC(=C1F)C2=NC(=C(C(=C2)N)Cl)C(=O)OC)Cl

    Safety labels

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Odorless 42.88%
    Fruity 32.47%
    Grape 29.97%
    Musk 25.86%
    Powdery 24.82%
    Burnt 23.75%
    Sweet 23.42%
    Dry 22.67%
    Floral 21.02%
    Vanilla 21.01%

     

    Flavor
    Bitter 85.53%
    Odorless 37.77%
    Bland 25.05%
    Mild 22.1%
    Sweet-like 21.33%
    Orange flower 19.76%
    Very strong 19.7%
    Indole 19.6%
    Bread crust 19.53%
    Nitrile 19.44%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.3

    pKa est.
    5.49 (weak acid)

    Molecular weight
    345.1 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    497°C

    Flash point

    • 189.56 ˚C est.

  • Synonyms

    • Halauxifen-methyl
    • 943831-98-9
    • Arylex
    • Halauxifen-methyl [ISO]
    • methyl 4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)pyridine-2-carboxylate
    • Arylex Active
    • UNII-81N578K123
    • 81N578K123
    • methyl 4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)picolinate
    • Methyl 4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-2-pyridinecarboxylate
    • 4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)pyridine-2-carboxylic acid methyl ester
    • Halauxifen methyl
    • 2-Pyridinecarboxylic acid, 4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-, methyl ester
    • Arylex; Arylex active; Halauxifen-methyl; XDE 729
    • Pixxaro
    • Quelex
    • halauxiphen-methyl
    • SCHEMBL115368
    • SCHEMBL29423657
    • SCHEMBL29442558
    • DTXSID50241446
    • XDE 729
    • CHEBI:143513
    • MSK22851
    • TMB83198
    • EBC-44404
    • NS00066823
    • Halauxifen-methyl 100 ?g/mL in Acetonitrile
    • G54512
    • EN300-7354927
    • Q27269251
    • Z2935742089
    • 4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)pyridine-2-carboxylic acid, methyl ester
    • 943831-98-9

  • Applications

    Halauxifen-methyl (CAS 943831-98-9) is used primarily as an active ingredient in selective herbicide formulations for agricultural crops, acting as a synthetic auxin to control broadleaf weeds. In practice, it is applied in cereals and oilseed crops to suppress unwanted broadleaf species, often as part of tank mixes with other herbicides to broaden spectrum. It is also employed in professional turf and landscape management to control weeds in turfgrass and ornamental settings, and appears in formulations designed for pre-emergence or early post-emergence application. Additionally, it serves as a common basis for product development and formulation testing in the crop protection industry, with use restricted by local regulations and application limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 23.69
    methanol 18.29
    isopropanol 13.96
    water 0.02
    ethyl acetate 71.36
    n-propanol 19.9
    acetone 89.56
    n-butanol 18.09
    acetonitrile 39.89
    DMF 90.24
    toluene 13.04
    isobutanol 12.59
    1,4-dioxane 48.98
    methyl acetate 55.67
    THF 234.0
    2-butanone 65.29
    n-pentanol 19.6
    sec-butanol 16.38
    n-hexane 0.4
    ethylene glycol 8.0
    NMP 96.17
    cyclohexane 0.95
    DMSO 135.16
    n-butyl acetate 27.49
    n-octanol 5.8
    chloroform 56.6
    n-propyl acetate 35.58
    acetic acid 63.53
    dichloromethane 85.42
    cyclohexanone 78.0
    propylene glycol 9.09
    isopropyl acetate 28.77
    DMAc 101.66
    2-ethoxyethanol 70.07
    isopentanol 15.73
    n-heptane 0.93
    ethyl formate 48.16
    1,2-dichloroethane 48.22
    n-hexanol 15.47
    2-methoxyethanol 107.71
    isobutyl acetate 15.5
    tetrachloromethane 5.51
    n-pentyl acetate 22.25
    transcutol 81.22
    n-heptanol 10.54
    ethylbenzene 5.76
    MIBK 23.03
    2-propoxyethanol 61.94
    tert-butanol 20.08
    MTBE 13.56
    2-butoxyethanol 37.04
    propionic acid 24.03
    o-xylene 7.24
    formic acid 37.93
    diethyl ether 17.82
    m-xylene 7.12
    p-xylene 8.02
    chlorobenzene 15.29
    dimethyl carbonate 40.72
    n-octane 0.43
    formamide 77.25
    cyclopentanone 132.06
    2-pentanone 48.47
    anisole 22.82
    cyclopentyl methyl ether 33.53
    gamma-butyrolactone 154.51
    1-methoxy-2-propanol 61.06
    pyridine 80.89
    3-pentanone 32.61
    furfural 147.99
    n-dodecane 0.4
    diethylene glycol 60.57
    diisopropyl ether 3.57
    tert-amyl alcohol 19.2
    acetylacetone 95.49
    n-hexadecane 0.46
    acetophenone 34.96
    methyl propionate 56.42
    isopentyl acetate 21.17
    trichloroethylene 121.69
    n-nonanol 6.67
    cyclohexanol 19.48
    benzyl alcohol 32.54
    2-ethylhexanol 10.22
    isooctanol 8.88
    dipropyl ether 13.41
    1,2-dichlorobenzene 15.97
    ethyl lactate 24.95
    propylene carbonate 66.24
    n-methylformamide 58.93
    2-pentanol 11.17
    n-pentane 0.54
    1-propoxy-2-propanol 35.85
    1-methoxy-2-propyl acetate 46.73
    2-(2-methoxypropoxy) propanol 29.93
    mesitylene 3.35
    ε-caprolactone 69.45
    p-cymene 5.87
    epichlorohydrin 176.64
    1,1,1-trichloroethane 30.85
    2-aminoethanol 16.05
    morpholine-4-carbaldehyde 95.73
    sulfolane 143.98
    2,2,4-trimethylpentane 0.45
    2-methyltetrahydrofuran 67.73
    n-hexyl acetate 16.72
    isooctane 0.26
    2-(2-butoxyethoxy)ethanol 42.17
    sec-butyl acetate 18.63
    tert-butyl acetate 28.41
    decalin 0.62
    glycerin 24.34
    diglyme 86.95
    acrylic acid 29.5
    isopropyl myristate 7.83
    n-butyric acid 37.44
    acetyl acetate 50.38
    di(2-ethylhexyl) phthalate 11.53
    ethyl propionate 31.11
    nitromethane 189.68
    1,2-diethoxyethane 30.67
    benzonitrile 30.07
    trioctyl phosphate 8.45
    1-bromopropane 16.46
    gamma-valerolactone 162.45
    n-decanol 5.47
    triethyl phosphate 14.65
    4-methyl-2-pentanol 7.32
    propionitrile 27.88
    vinylene carbonate 63.29
    1,1,2-trichlorotrifluoroethane 116.07
    DMS 24.34
    cumene 3.86
    2-octanol 6.59
    2-hexanone 33.56
    octyl acetate 10.55
    limonene 7.64
    1,2-dimethoxyethane 96.54
    ethyl orthosilicate 12.71
    tributyl phosphate 9.26
    diacetone alcohol 50.18
    N,N-dimethylaniline 14.56
    acrylonitrile 47.37
    aniline 25.24
    1,3-propanediol 32.26
    bromobenzene 14.22
    dibromomethane 40.67
    1,1,2,2-tetrachloroethane 65.73
    2-methyl-cyclohexyl acetate 18.83
    tetrabutyl urea 15.96
    diisobutyl methanol 6.21
    2-phenylethanol 28.76
    styrene 7.51
    dioctyl adipate 15.3
    dimethyl sulfate 59.41
    ethyl butyrate 26.44
    methyl lactate 37.78
    butyl lactate 21.31
    diethyl carbonate 20.22
    propanediol butyl ether 22.81
    triethyl orthoformate 17.86
    p-tert-butyltoluene 5.41
    methyl 4-tert-butylbenzoate 27.78
    morpholine 73.75
    tert-butylamine 7.36
    n-dodecanol 4.29
    dimethoxymethane 91.92
    ethylene carbonate 45.78
    cyrene 50.08
    2-ethoxyethyl acetate 42.06
    2-ethylhexyl acetate 15.71
    1,2,4-trichlorobenzene 22.2
    4-methylpyridine 51.5
    dibutyl ether 7.67
    2,6-dimethyl-4-heptanol 6.21
    DEF 51.97
    dimethyl isosorbide 62.83
    tetrachloroethylene 40.12
    eugenol 33.13
    triacetin 25.5
    span 80 22.08
    1,4-butanediol 15.73
    1,1-dichloroethane 31.23
    2-methyl-1-pentanol 18.07
    methyl formate 66.98
    2-methyl-1-butanol 14.98
    n-decane 0.56
    butyronitrile 26.44
    3,7-dimethyl-1-octanol 6.74
    1-chlorooctane 3.21
    1-chlorotetradecane 1.6
    n-nonane 0.44
    undecane 0.48
    tert-butylcyclohexane 0.49
    cyclooctane 0.31
    cyclopentanol 27.89
    tetrahydropyran 39.14
    tert-amyl methyl ether 13.85
    2,5,8-trioxanonane 59.8
    1-hexene 3.05
    2-isopropoxyethanol 40.34
    2,2,2-trifluoroethanol 33.8
    methyl butyrate 41.66

    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