Halauxifen

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  • Identifiers

    CAS number
    943832-60-8

    Molecular formula
    C13H9Cl2FN2O3

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

    Safety labels

  • Odor profile

    Fragrance
    Odorless 56.34%
    Musk 23.75%
    Burnt 22.43%
    Grape 21.06%
    Fruity 20.7%
    Animal 20.49%
    Phenolic 20.43%
    Savory 20.31%
    Dry 20.29%
    Milky 20.25%

     

    Flavor
    Bitter 79.46%
    Odorless 46.84%
    Mild 29.14%
    Bland 25.79%
    Sweet-like 21.64%
    Bread crust 20.3%
    Nitrile 20.18%
    Very strong 20.16%
    Orange flower 20.01%
    Scallion 19.97%

     

    Odor impact est.
    Odorless

  • Properties

    XLogP3-AA
    3.0

    pKa est.
    6.28 (neutral)

    Molecular weight
    331.12 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    497°C

    Flash point

    • 207.78 ˚C est.

  • Synonyms

    • Halauxifen
    • 943832-60-8
    • Halauxifen [ISO]
    • Halauxifen (free acid)
    • UNII-X6XT37HY9R
    • X6XT37HY9R
    • XDE-729
    • 4-Amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-2-pyridinecarboxylic acid
    • DE-729
    • XR-729
    • XDE 729 acid
    • XR-729 acid
    • CHEBI:145477
    • DTXSID10241447
    • 4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)picolinic acid
    • 2-PYRIDINECARBOXYLIC ACID, 4-AMINO-3-CHLORO-6-(4-CHLORO-2-FLUORO-3-METHOXYPHENYL)-
    • RefChem:145023
    • DTXCID10163938
    • 4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)pyridine-2-carboxylic acid
    • Halauxifen methyl acid
    • halauxifen-methyl TP1
    • SCHEMBL115379
    • orb1697021
    • SCHEMBL29349463
    • SCHEMBL29405327
    • MSK22995
    • AKOS040751993
    • HY-121243
    • CS-0081296
    • NS00115826
    • Q27293615
    • 2-Pyridinecarboxylic acid, 4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-; 4-Amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-2-pyridinecarboxylic acid; Halauxifen
    • 943832-60-8

  • Applications

    Halauxifen (CAS 943832-60-8) is an active herbicide ingredient in synthetic auxin herbicides used for selective control of broadleaf weeds in agricultural crops and landscape management. It is typically applied as a foliar spray in crop production (including cereals and other arable crops), often formulated with other herbicides and adjuvants to enhance uptake and efficacy. In addition to agricultural use, it is employed in turf management such as lawns and golf courses, and in landscape ornamental horticulture for weed control, as well as for non-crop weed management in rights-of-way and industrial or public spaces. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 22.69
    methanol 17.9
    isopropanol 12.93
    water 0.03
    ethyl acetate 29.72
    n-propanol 18.41
    acetone 39.74
    n-butanol 16.09
    acetonitrile 10.96
    DMF 92.04
    toluene 3.17
    isobutanol 10.27
    1,4-dioxane 16.14
    methyl acetate 22.43
    THF 170.7
    2-butanone 37.46
    n-pentanol 14.62
    sec-butanol 14.56
    n-hexane 0.17
    ethylene glycol 9.26
    NMP 79.9
    cyclohexane 0.17
    DMSO 132.97
    n-butyl acetate 16.24
    n-octanol 3.4
    chloroform 8.14
    n-propyl acetate 17.97
    acetic acid 28.56
    dichloromethane 14.11
    cyclohexanone 38.73
    propylene glycol 10.56
    isopropyl acetate 15.97
    DMAc 91.8
    2-ethoxyethanol 57.38
    isopentanol 12.72
    n-heptane 0.44
    ethyl formate 21.81
    1,2-dichloroethane 11.61
    n-hexanol 12.96
    2-methoxyethanol 100.29
    isobutyl acetate 6.78
    tetrachloromethane 0.99
    n-pentyl acetate 11.7
    transcutol 52.52
    n-heptanol 7.36
    ethylbenzene 1.77
    MIBK 15.63
    2-propoxyethanol 56.32
    tert-butanol 17.18
    MTBE 8.37
    2-butoxyethanol 26.34
    propionic acid 13.14
    o-xylene 2.43
    formic acid 28.79
    diethyl ether 9.38
    m-xylene 2.5
    p-xylene 2.2
    chlorobenzene 2.8
    dimethyl carbonate 21.4
    n-octane 0.2
    formamide 54.51
    cyclopentanone 76.11
    2-pentanone 33.27
    anisole 10.26
    cyclopentyl methyl ether 21.21
    gamma-butyrolactone 79.61
    1-methoxy-2-propanol 67.4
    pyridine 22.75
    3-pentanone 19.69
    furfural 65.94
    n-dodecane 0.18
    diethylene glycol 57.14
    diisopropyl ether 1.98
    tert-amyl alcohol 16.25
    acetylacetone 46.82
    n-hexadecane 0.2
    acetophenone 15.63
    methyl propionate 32.12
    isopentyl acetate 12.4
    trichloroethylene 22.29
    n-nonanol 3.96
    cyclohexanol 10.08
    benzyl alcohol 15.17
    2-ethylhexanol 6.91
    isooctanol 5.82
    dipropyl ether 9.02
    1,2-dichlorobenzene 3.36
    ethyl lactate 19.02
    propylene carbonate 29.16
    n-methylformamide 46.3
    2-pentanol 10.41
    n-pentane 0.24
    1-propoxy-2-propanol 33.61
    1-methoxy-2-propyl acetate 32.0
    2-(2-methoxypropoxy) propanol 22.95
    mesitylene 1.3
    ε-caprolactone 34.13
    p-cymene 2.78
    epichlorohydrin 83.93
    1,1,1-trichloroethane 5.32
    2-aminoethanol 17.92
    morpholine-4-carbaldehyde 63.77
    sulfolane 107.1
    2,2,4-trimethylpentane 0.21
    2-methyltetrahydrofuran 39.46
    n-hexyl acetate 8.75
    isooctane 0.14
    2-(2-butoxyethoxy)ethanol 29.14
    sec-butyl acetate 9.64
    tert-butyl acetate 17.83
    decalin 0.2
    glycerin 25.81
    diglyme 50.41
    acrylic acid 13.76
    isopropyl myristate 4.66
    n-butyric acid 23.59
    acetyl acetate 15.95
    di(2-ethylhexyl) phthalate 6.48
    ethyl propionate 18.47
    nitromethane 70.04
    1,2-diethoxyethane 15.9
    benzonitrile 9.92
    trioctyl phosphate 5.28
    1-bromopropane 5.71
    gamma-valerolactone 88.98
    n-decanol 3.31
    triethyl phosphate 9.18
    4-methyl-2-pentanol 6.14
    propionitrile 12.73
    vinylene carbonate 22.97
    1,1,2-trichlorotrifluoroethane 60.4
    DMS 11.17
    cumene 1.42
    2-octanol 4.2
    2-hexanone 20.15
    octyl acetate 6.46
    limonene 3.79
    1,2-dimethoxyethane 63.49
    ethyl orthosilicate 8.03
    tributyl phosphate 5.5
    diacetone alcohol 42.03
    N,N-dimethylaniline 8.09
    acrylonitrile 19.32
    aniline 9.69
    1,3-propanediol 31.38
    bromobenzene 2.28
    dibromomethane 7.73
    1,1,2,2-tetrachloroethane 15.54
    2-methyl-cyclohexyl acetate 11.57
    tetrabutyl urea 10.84
    diisobutyl methanol 4.38
    2-phenylethanol 15.72
    styrene 1.91
    dioctyl adipate 8.68
    dimethyl sulfate 39.76
    ethyl butyrate 17.05
    methyl lactate 32.12
    butyl lactate 14.93
    diethyl carbonate 11.27
    propanediol butyl ether 16.47
    triethyl orthoformate 11.25
    p-tert-butyltoluene 2.61
    methyl 4-tert-butylbenzoate 17.95
    morpholine 36.37
    tert-butylamine 5.28
    n-dodecanol 2.54
    dimethoxymethane 74.78
    ethylene carbonate 17.63
    cyrene 36.25
    2-ethoxyethyl acetate 20.63
    2-ethylhexyl acetate 8.26
    1,2,4-trichlorobenzene 5.25
    4-methylpyridine 18.24
    dibutyl ether 4.26
    2,6-dimethyl-4-heptanol 4.38
    DEF 36.96
    dimethyl isosorbide 45.14
    tetrachloroethylene 8.86
    eugenol 20.6
    triacetin 12.8
    span 80 15.51
    1,4-butanediol 13.07
    1,1-dichloroethane 6.82
    2-methyl-1-pentanol 11.74
    methyl formate 37.95
    2-methyl-1-butanol 12.12
    n-decane 0.25
    butyronitrile 13.18
    3,7-dimethyl-1-octanol 3.96
    1-chlorooctane 1.4
    1-chlorotetradecane 0.72
    n-nonane 0.2
    undecane 0.22
    tert-butylcyclohexane 0.19
    cyclooctane 0.09
    cyclopentanol 18.28
    tetrahydropyran 14.11
    tert-amyl methyl ether 9.83
    2,5,8-trioxanonane 38.35
    1-hexene 1.35
    2-isopropoxyethanol 28.82
    2,2,2-trifluoroethanol 15.18
    methyl butyrate 23.78

    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