Bixafen

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  • Identifiers

    CAS number
    581809-46-3

    Molecular formula
    C18H12Cl2F3N3O

    SMILES
    CN1C=C(C(=N1)C(F)F)C(=O)NC2=C(C=C(C=C2)F)C3=CC(=C(C=C3)Cl)Cl

    Safety labels

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Odorless 55.3%
    Grape 26.05%
    Savory 25.78%
    Animal 23.48%
    Meaty 23.26%
    Cooked 23.18%
    Fruity 22.5%
    Burnt 20.25%
    Bitter 20.24%
    Milky 19.32%

     

    Flavor
    Bitter 82.69%
    Odorless 43.84%
    Bland 23.92%
    Mild 22.96%
    Sweet-like 20.19%
    Nitrile 19.84%
    Very strong 19.27%
    Indole 18.95%
    Scallion 18.59%
    Orange flower 18.3%

     

    Odor impact est.
    Odorless

  • Properties

    XLogP3-AA
    4.7

    pKa est.
    4.6 (weak acid)

    Molecular weight
    414.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    570°C

    Flash point

    • 217.05 ˚C est.

  • Synonyms

    • Bixafen
    • 581809-46-3
    • Bixafen [ISO]
    • bixafene
    • UNII-28XK2L8M3B
    • 28XK2L8M3B
    • AVIATOR XPRO
    • BOOGIE XPRO
    • SILTRA XPRO
    • SKYWAY XPRO
    • VARIANO XPRO
    • BIXAFEN [MI]
    • n-(3',4'-dichloro-5-fluoro-1,1'-biphenyl-2-yl)-3-(difluoromethyl)-1-methyl-1h-pyrazole-4-carboxamide
    • DTXSID6058134
    • CHEBI:83106
    • N-(3,4-dichloro-5-fluorobiphenyl-2-yl)-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
    • N-(3',4'-dichloro-5-fluorobiphenyl-2-yl)-3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxamide
    • n-(3',4'-dichloro-5-fluoro[1,1'-biphenyl]-2-yl)-3-(difluoromethyl)-1-methyl-1h-pyrazole-4-carboxamide
    • N-(3',4'-dichloro-5-fluorobiphenyl-2-yl)-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
    • N-(2-(3,4-DICHLOROPHENYL)-4-FLUOROPHENYL)-3-DIFLUOROMETHYL-1-METHYLPYRAZOLE-4-CARBOXYLIC ACID AMIDE
    • N-(3',4'-dichloro-5-fluoro(1,1'-biphenyl)-2-yl)-3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxamide
    • RefChem:120572
    • DTXCID2031902
    • 642-423-9
    • Bixafen|
    • N-(3',4'-Dichloro-5-fluoro-[1,1'-biphenyl]-2-yl)-3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxamide
    • N-[2-(3,4-dichlorophenyl)-4-fluorophenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
    • MFCD16652583
    • Bixafen 100 microg/mL in Acetonitrile
    • SCHEMBL68043
    • C18H12Cl2F3N3O
    • orb2802098
    • SCHEMBL29349968
    • SCHEMBL29445383
    • MSK21251
    • AKOS027323804
    • EBC-191030
    • AS-36600
    • FB102917
    • N-[2-(3,4-dichlorophenyl)-4-fluoro-phenyl]-3-(difluoromethyl)-1-methyl-pyrazole-4-carboxamide
    • Bixafen, PESTANAL(R), analytical standard
    • CS-0129988
    • NS00007333
    • Q2040219
    • Z3244812870
    • 1H-Pyrazole-4-carboxamide, N-(3',4'-dichloro-5-fluoro[1,1'-biphenyl]-2-yl)-3-(difluoromethyl)-1-methyl-
    • N-(3',4'-dichloro-5-fluorobiphenyl-2-yl)-3-difluoromethyl-1-methyl-1H-pyrazole-4-carboxamide
    • 581809-46-3

  • Applications

    Bixafen (CAS 581809-46-3) is an SDHI fungicide used in crop protection. In agriculture, it is typically applied as a foliar spray to cereals (for example, wheat and barley) to control fungal diseases on leaves and heads; it is also employed on fruit crops and vegetables to manage foliar and blossom pathogens, and it can be used for greenhouse and field-grown vegetables to protect against fungal disease; in addition, bixafen may be formulated for seed-treatment applications to protect germinating seeds and young plants from soil- and seed-borne fungi.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 11.2
    methanol 8.57
    isopropanol 6.49
    water 0.0
    ethyl acetate 48.54
    n-propanol 9.8
    acetone 69.58
    n-butanol 7.82
    acetonitrile 19.68
    DMF 40.14
    toluene 10.97
    isobutanol 5.73
    1,4-dioxane 47.77
    methyl acetate 47.2
    THF 218.31
    2-butanone 77.85
    n-pentanol 6.67
    sec-butanol 8.68
    n-hexane 0.08
    ethylene glycol 1.42
    NMP 52.15
    cyclohexane 0.23
    DMSO 54.52
    n-butyl acetate 22.26
    n-octanol 2.97
    chloroform 59.47
    n-propyl acetate 27.43
    acetic acid 28.26
    dichloromethane 57.35
    cyclohexanone 73.55
    propylene glycol 2.41
    isopropyl acetate 25.24
    DMAc 137.09
    2-ethoxyethanol 28.05
    isopentanol 7.12
    n-heptane 0.15
    ethyl formate 22.71
    1,2-dichloroethane 25.25
    n-hexanol 5.37
    2-methoxyethanol 38.77
    isobutyl acetate 11.33
    tetrachloromethane 1.94
    n-pentyl acetate 14.12
    transcutol 57.04
    n-heptanol 3.9
    ethylbenzene 4.2
    MIBK 18.14
    2-propoxyethanol 29.35
    tert-butanol 7.02
    MTBE 11.09
    2-butoxyethanol 18.85
    propionic acid 10.93
    o-xylene 5.17
    formic acid 8.76
    diethyl ether 12.81
    m-xylene 3.86
    p-xylene 5.42
    chlorobenzene 9.19
    dimethyl carbonate 20.57
    n-octane 0.09
    formamide 17.64
    cyclopentanone 93.64
    2-pentanone 44.51
    anisole 21.71
    cyclopentyl methyl ether 22.66
    gamma-butyrolactone 85.03
    1-methoxy-2-propanol 25.34
    pyridine 58.82
    3-pentanone 34.48
    furfural 61.41
    n-dodecane 0.14
    diethylene glycol 18.63
    diisopropyl ether 2.08
    tert-amyl alcohol 8.67
    acetylacetone 77.22
    n-hexadecane 0.17
    acetophenone 28.17
    methyl propionate 38.5
    isopentyl acetate 16.31
    trichloroethylene 81.24
    n-nonanol 3.61
    cyclohexanol 8.62
    benzyl alcohol 15.61
    2-ethylhexanol 4.19
    isooctanol 3.6
    dipropyl ether 7.89
    1,2-dichlorobenzene 7.8
    ethyl lactate 12.86
    propylene carbonate 35.09
    n-methylformamide 19.23
    2-pentanol 4.36
    n-pentane 0.1
    1-propoxy-2-propanol 19.39
    1-methoxy-2-propyl acetate 36.61
    2-(2-methoxypropoxy) propanol 26.13
    mesitylene 1.55
    ε-caprolactone 63.5
    p-cymene 2.76
    epichlorohydrin 118.02
    1,1,1-trichloroethane 19.63
    2-aminoethanol 4.13
    morpholine-4-carbaldehyde 64.73
    sulfolane 66.06
    2,2,4-trimethylpentane 0.15
    2-methyltetrahydrofuran 68.39
    n-hexyl acetate 13.34
    isooctane 0.07
    2-(2-butoxyethoxy)ethanol 29.47
    sec-butyl acetate 16.41
    tert-butyl acetate 20.84
    decalin 0.19
    glycerin 5.63
    diglyme 64.43
    acrylic acid 10.43
    isopropyl myristate 6.38
    n-butyric acid 20.64
    acetyl acetate 32.45
    di(2-ethylhexyl) phthalate 8.22
    ethyl propionate 24.55
    nitromethane 82.44
    1,2-diethoxyethane 25.2
    benzonitrile 17.64
    trioctyl phosphate 4.75
    1-bromopropane 11.54
    gamma-valerolactone 129.91
    n-decanol 2.91
    triethyl phosphate 9.5
    4-methyl-2-pentanol 2.95
    propionitrile 16.01
    vinylene carbonate 31.05
    1,1,2-trichlorotrifluoroethane 61.3
    DMS 18.16
    cumene 2.13
    2-octanol 2.68
    2-hexanone 31.42
    octyl acetate 8.55
    limonene 3.84
    1,2-dimethoxyethane 64.99
    ethyl orthosilicate 8.19
    tributyl phosphate 6.2
    diacetone alcohol 27.23
    N,N-dimethylaniline 10.26
    acrylonitrile 22.6
    aniline 14.6
    1,3-propanediol 9.34
    bromobenzene 8.74
    dibromomethane 25.52
    1,1,2,2-tetrachloroethane 50.64
    2-methyl-cyclohexyl acetate 14.75
    tetrabutyl urea 13.2
    diisobutyl methanol 2.69
    2-phenylethanol 15.77
    styrene 5.57
    dioctyl adipate 13.27
    dimethyl sulfate 26.46
    ethyl butyrate 21.93
    methyl lactate 18.01
    butyl lactate 12.94
    diethyl carbonate 14.41
    propanediol butyl ether 11.19
    triethyl orthoformate 14.09
    p-tert-butyltoluene 2.35
    methyl 4-tert-butylbenzoate 17.77
    morpholine 59.27
    tert-butylamine 2.58
    n-dodecanol 2.3
    dimethoxymethane 51.72
    ethylene carbonate 25.28
    cyrene 28.06
    2-ethoxyethyl acetate 29.45
    2-ethylhexyl acetate 12.75
    1,2,4-trichlorobenzene 13.67
    4-methylpyridine 43.74
    dibutyl ether 6.1
    2,6-dimethyl-4-heptanol 2.69
    DEF 40.36
    dimethyl isosorbide 45.52
    tetrachloroethylene 23.74
    eugenol 19.92
    triacetin 19.6
    span 80 15.67
    1,4-butanediol 3.49
    1,1-dichloroethane 23.24
    2-methyl-1-pentanol 6.82
    methyl formate 19.64
    2-methyl-1-butanol 7.35
    n-decane 0.22
    butyronitrile 16.27
    3,7-dimethyl-1-octanol 3.68
    1-chlorooctane 1.7
    1-chlorotetradecane 0.8
    n-nonane 0.15
    undecane 0.17
    tert-butylcyclohexane 0.16
    cyclooctane 0.07
    cyclopentanol 11.38
    tetrahydropyran 41.15
    tert-amyl methyl ether 11.08
    2,5,8-trioxanonane 48.0
    1-hexene 1.1
    2-isopropoxyethanol 16.85
    2,2,2-trifluoroethanol 9.5
    methyl butyrate 33.55

    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