Fludioxonil

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  • Identifiers

    CAS number
    131341-86-1

    Molecular formula
    C12H6F2N2O2

    SMILES
    C1=CC(=C2C(=C1)OC(O2)(F)F)C3=CNC=C3C#N

    Safety labels

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Odorless 48.91%
    Sweet 29.09%
    Floral 26.18%
    Powdery 23.0%
    Animal 22.95%
    Phenolic 21.34%
    Bitter 20.49%
    Balsamic 18.94%
    Spicy 18.14%
    Vanilla 17.01%

     

    Flavor
    Bitter 93.7%
    Odorless 30.53%
    Bland 22.19%
    Sweet-like 19.41%
    Cedarleaf 18.91%
    Very strong 18.4%
    Nitrile 18.36%
    Indole 18.12%
    Scallion 17.57%
    Bread crust 17.49%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    7.11 (neutral)

    Molecular weight
    248.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    381°C

    Melting point expt.

    • 199.8 °C

    Flash point

    • 196.57 ˚C est.

    Solubility expt.

    • In water, 1.8 mg/L at 25 °C
    • Solubility in: acetone 190; ethanol 44; toluene 2.7; n-octanol 20; hexane 0.1 (g/L at 25 °C)

  • Synonyms

    • Fludioxonil
    • 131341-86-1
    • 4-(2,2-Difluoro-1,3-benzodioxol-4-yl)-1H-pyrrole-3-carbonitrile
    • 4-(2,2-Difluorobenzo[d][1,3]dioxol-4-yl)-1H-pyrrole-3-carbonitrile
    • Scholar
    • 1H-Pyrrole-3-carbonitrile, 4-(2,2-difluoro-1,3-benzodioxol-4-yl)-
    • Fludioxonil [ISO]
    • Savior
    • Geoxe
    • Maxim
    • C12H6F2N2O2
    • Fludioxinil
    • Celest
    • UNII-ENS9J0YM16
    • ENS9J0YM16
    • MEDALLION
    • DTXSID2032398
    • CHEBI:81763
    • FLUDIOXONIL [MI]
    • DTXCID0012398
    • HSDB 8246
    • Fludioxonil 10 microg/mL in Acetone
    • CGA-173506
    • Fludioxonil 10 microg/mL in Acetonitrile
    • Saphire
    • Fludioxonil 100 microg/mL in Acetonitrile
    • 3-(2,2-DIFLUOROBENZODIOXOL-4-YL)-4-CYANOPYRROLE
    • 4-(2,2-difluoro-2H-1,3-benzodioxol-4-yl)-1H-pyrrole-3-carbonitrile
    • MFCD01631158
    • SCHEMBL22172
    • 3-(2,2-Difluoro-benzodioxol-4-yl)-4-cyanopyrrole
    • CHEMBL485833
    • BCP14355
    • MSK21081
    • Tox21_301049
    • AKOS005063367
    • HY-W021040
    • PB10198
    • NCGC00163884-01
    • NCGC00163884-02
    • NCGC00163884-03
    • NCGC00254951-01
    • AS-10363
    • FD105913
    • DB-001265
    • CAS-131341-86-1
    • CS-0035318
    • NS00011514
    • C18462
    • Fludioxonil, PESTANAL(R), analytical standard
    • Q975876
    • 4(2,2Difluoro1,3benzodioxol4yl)1Hpyrrole3carbonitrile
    • Fludioxonil, certified reference material, TraceCERT(R)
    • 1HPyrrole3carbonitrile, 4(2,2difluoro1,3benzodioxol4yl)
    • 4-(2,2-DIFLUORO-1,3-BENZDIOXOL-4-YL)-1H-PYRROLE-3-CARBONITRILE
    • 4-(2\,2-Difluoro-1\,3-benzodioxol-4-yl)-1H-pyrrole-3-carbonitrile
    • 4-(2\,2-Difluorobenzo[d][1\,3]dioxol-4-yl)-1H-pyrrole-3-carbonitrile
    • Fludioxonil, 4-(2,2-difluoro-1,3-benzodioxol-4-yl)-1H-pyrrole-3-carbonitrile
    • 603-476-3

  • Applications

    Fludioxonil is a fungicidal active ingredient used in agriculture to control fungal diseases on crops (for example Botrytis and Rhizoctonia). Real-world applications include seed treatment to protect germinating seedlings from fungal pathogens, postharvest protection to reduce decay and storage rots on fruits and vegetables, and greenhouse or field applications to prevent fungal diseases on ornamentals, fruiting crops, and vegetables; it is formulated as suspensions, emulsifiable concentrates, or seed coatings and is often used as part of integrated pest management in combination with other fungicides. Applications are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 35.25
    methanol 61.4
    isopropanol 19.26
    water 0.21
    ethyl acetate 55.86
    n-propanol 19.53
    acetone 108.34
    n-butanol 17.53
    acetonitrile 62.46
    DMF 169.92
    toluene 7.92
    isobutanol 11.43
    1,4-dioxane 43.94
    methyl acetate 59.95
    THF 116.67
    2-butanone 67.7
    n-pentanol 15.21
    sec-butanol 16.03
    n-hexane 0.22
    ethylene glycol 29.91
    NMP 148.18
    cyclohexane 0.16
    DMSO 357.47
    n-butyl acetate 39.97
    n-octanol 15.64
    chloroform 19.89
    n-propyl acetate 43.42
    acetic acid 39.17
    dichloromethane 34.4
    cyclohexanone 45.34
    propylene glycol 21.93
    isopropyl acetate 35.74
    DMAc 128.53
    2-ethoxyethanol 79.81
    isopentanol 15.48
    n-heptane 0.61
    ethyl formate 44.01
    1,2-dichloroethane 31.48
    n-hexanol 19.03
    2-methoxyethanol 128.81
    isobutyl acetate 15.76
    tetrachloromethane 2.4
    n-pentyl acetate 41.98
    transcutol 151.74
    n-heptanol 15.82
    ethylbenzene 6.02
    MIBK 31.1
    2-propoxyethanol 86.28
    tert-butanol 20.02
    MTBE 11.57
    2-butoxyethanol 56.82
    propionic acid 29.13
    o-xylene 6.1
    formic acid 54.12
    diethyl ether 19.92
    m-xylene 6.25
    p-xylene 5.81
    chlorobenzene 11.0
    dimethyl carbonate 57.79
    n-octane 0.37
    formamide 120.61
    cyclopentanone 92.46
    2-pentanone 58.67
    anisole 28.68
    cyclopentyl methyl ether 25.43
    gamma-butyrolactone 115.19
    1-methoxy-2-propanol 87.81
    pyridine 48.25
    3-pentanone 35.11
    furfural 116.6
    n-dodecane 0.66
    diethylene glycol 100.32
    diisopropyl ether 5.16
    tert-amyl alcohol 16.89
    acetylacetone 98.9
    n-hexadecane 0.75
    acetophenone 38.22
    methyl propionate 56.99
    isopentyl acetate 28.02
    trichloroethylene 50.57
    n-nonanol 14.9
    cyclohexanol 8.55
    benzyl alcohol 26.97
    2-ethylhexanol 12.52
    isooctanol 12.03
    dipropyl ether 15.79
    1,2-dichlorobenzene 13.77
    ethyl lactate 40.79
    propylene carbonate 56.19
    n-methylformamide 104.78
    2-pentanol 12.24
    n-pentane 0.26
    1-propoxy-2-propanol 56.83
    1-methoxy-2-propyl acetate 61.08
    2-(2-methoxypropoxy) propanol 63.28
    mesitylene 3.42
    ε-caprolactone 50.49
    p-cymene 7.41
    epichlorohydrin 120.49
    1,1,1-trichloroethane 13.94
    2-aminoethanol 30.92
    morpholine-4-carbaldehyde 122.3
    sulfolane 154.82
    2,2,4-trimethylpentane 0.25
    2-methyltetrahydrofuran 47.16
    n-hexyl acetate 45.81
    isooctane 0.2
    2-(2-butoxyethoxy)ethanol 77.16
    sec-butyl acetate 24.03
    tert-butyl acetate 34.74
    decalin 0.34
    glycerin 50.26
    diglyme 123.54
    acrylic acid 37.72
    isopropyl myristate 19.98
    n-butyric acid 31.44
    acetyl acetate 40.86
    di(2-ethylhexyl) phthalate 23.45
    ethyl propionate 43.39
    nitromethane 178.12
    1,2-diethoxyethane 47.09
    benzonitrile 31.79
    trioctyl phosphate 18.02
    1-bromopropane 10.66
    gamma-valerolactone 117.45
    n-decanol 11.79
    triethyl phosphate 19.7
    4-methyl-2-pentanol 8.39
    propionitrile 33.81
    vinylene carbonate 46.44
    1,1,2-trichlorotrifluoroethane 86.69
    DMS 54.93
    cumene 4.28
    2-octanol 12.39
    2-hexanone 42.46
    octyl acetate 28.18
    limonene 7.73
    1,2-dimethoxyethane 101.26
    ethyl orthosilicate 14.93
    tributyl phosphate 20.42
    diacetone alcohol 56.87
    N,N-dimethylaniline 19.36
    acrylonitrile 61.58
    aniline 16.96
    1,3-propanediol 44.09
    bromobenzene 9.27
    dibromomethane 18.28
    1,1,2,2-tetrachloroethane 36.01
    2-methyl-cyclohexyl acetate 22.66
    tetrabutyl urea 32.22
    diisobutyl methanol 7.44
    2-phenylethanol 32.57
    styrene 7.12
    dioctyl adipate 28.71
    dimethyl sulfate 101.19
    ethyl butyrate 32.67
    methyl lactate 65.26
    butyl lactate 41.91
    diethyl carbonate 26.5
    propanediol butyl ether 53.42
    triethyl orthoformate 22.04
    p-tert-butyltoluene 6.26
    methyl 4-tert-butylbenzoate 43.92
    morpholine 53.39
    tert-butylamine 6.78
    n-dodecanol 9.07
    dimethoxymethane 115.22
    ethylene carbonate 35.4
    cyrene 58.87
    2-ethoxyethyl acetate 70.15
    2-ethylhexyl acetate 21.51
    1,2,4-trichlorobenzene 18.16
    4-methylpyridine 39.51
    dibutyl ether 15.1
    2,6-dimethyl-4-heptanol 7.44
    DEF 58.12
    dimethyl isosorbide 91.99
    tetrachloroethylene 22.12
    eugenol 54.75
    triacetin 55.7
    span 80 42.42
    1,4-butanediol 21.14
    1,1-dichloroethane 17.12
    2-methyl-1-pentanol 13.15
    methyl formate 96.92
    2-methyl-1-butanol 13.3
    n-decane 0.82
    butyronitrile 29.13
    3,7-dimethyl-1-octanol 13.26
    1-chlorooctane 5.69
    1-chlorotetradecane 2.94
    n-nonane 0.6
    undecane 0.74
    tert-butylcyclohexane 0.33
    cyclooctane 0.11
    cyclopentanol 16.76
    tetrahydropyran 19.89
    tert-amyl methyl ether 13.4
    2,5,8-trioxanonane 93.24
    1-hexene 2.16
    2-isopropoxyethanol 47.57
    2,2,2-trifluoroethanol 30.38
    methyl butyrate 47.38

    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