Boscalid

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  • Identifiers

    CAS number
    188425-85-6

    Molecular formula
    C18H12Cl2N2O

    SMILES
    C1=CC=C(C(=C1)C2=CC=C(C=C2)Cl)NC(=O)C3=C(N=CC=C3)Cl

    Safety labels

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Grape 55.85%
    Fruity 50.18%
    Floral 47.56%
    Neroli 37.26%
    Orange 30.88%
    Animal 29.21%
    Citrus 29.17%
    Sweet 27.99%
    Honey 26.84%
    Odorless 26.15%

     

    Flavor
    Bitter 75.0%
    Odorless 35.62%
    Mild 26.28%
    Nitrile 21.0%
    Very strong 20.77%
    Indole 20.43%
    Orange flower 20.36%
    Orange blossom 19.96%
    Moth ball 19.51%
    Fruity 19.24%

     

    Odor impact est.
    Odorless

  • Properties

    XLogP3-AA
    4.9

    pKa est.
    5.93 (weak acid)

    Molecular weight
    343.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    545°C

    Melting point expt.

    • 142.8 to 143.8 °C

    Flash point

    • 220.42 ˚C est.

    Solubility expt.

    • In water, 4.6 mg/L at 20 °C
    • Solubility in n-heptane, <10 g/L, 20 °C
    • Solubility in acetone, 16-20 g/100 mL; acetonitrile, 4-5 g/100 mL; methanol, 4-5 g/100 mL; ethylacetate, 6.7-9 g/100mL; dichloromethane, 20-25 g/100 mL; toluene, 2-2.5 g/100 mL; 1-octanol, <1 g/100 mL, all at 20 °C

  • Synonyms

    • Boscalid
    • 188425-85-6
    • Nicobifen
    • Endura
    • Emerald
    • 2-Chloro-N-(4'-chloro-[1,1'-biphenyl]-2-yl)nicotinamide
    • Pristine
    • Cantus
    • Boscalid [ISO]
    • 2-chloro-N-(4'-chlorobiphenyl-2-yl)nicotinamide
    • 2-chloro-N-[2-(4-chlorophenyl)phenyl]pyridine-3-carboxamide
    • BAS 510F
    • 3-Pyridinecarboxamide, 2-chloro-N-(4'-chloro[1,1'-biphenyl]-2-yl)-
    • UNII-32MS8ZRD1V
    • Bas 510
    • Bas-510
    • 32MS8ZRD1V
    • DTXSID6034392
    • CHEBI:81822
    • BAS 510 F
    • HSDB 7499
    • MFCD06795150
    • DTXCID4014392
    • NCGC00163735-04
    • Anilide
    • 2-chloro-N-{4'-chloro-[1,1'-biphenyl]-2-yl}pyridine-3-carboxamide
    • 2-chloro-N-(4'-chloro(1,1'-biphenyl)-2-yl)pyridine-3-carboxamide
    • 2-chloro-N-(4'-chloro[1,1'-biphenyl]-2-yl)-3-pyridinecarboxamide
    • 2-chloro-N-(4'-chloro[1,1'-biphenyl]-2-yl)pyridine-3-carboxamide
    • 2-CHLORO-N-(4'-CHLORO(1,1'-BIPHENYL)-2-YL)-3-PYRIDINECARBOXAMIDE
    • 3-Pyridinecarboxamide, 2-chloro-N-(4'-chloro(1,1'-biphenyl)-2-yl)-
    • Emerald8115
    • BOSCALID [HSDB]
    • BOSCALID [MI]
    • 2-Chloro-N-(4'-chloro
    • SCHEMBL18517
    • C18H12Cl2N2O
    • BAS-510F
    • CHEMBL1076544
    • Tox21_400045
    • Boscalid 10 microg/mL in Cyclohexane
    • AKOS015895938
    • Boscalid 10 microg/mL in Acetonitrile
    • DB12792
    • DS-9792
    • FB76029
    • Boscalid 100 microg/mL in Acetonitrile
    • USEPA/OPP Pesticide Code: 128008
    • NCGC00163735-01
    • NCGC00163735-02
    • NCGC00163735-03
    • NCGC00163735-05
    • SY110627
    • HY-119976
    • B4038
    • Boscalid, PESTANAL(R), analytical standard
    • CAS-188425-85-6
    • CS-0078856
    • NS00000437
    • 3-Pyridinecarboxamide, 2-chloro-N-(4'chloro
    • C18547
    • EN300-7394812
    • Q894358
    • 2-Chloro-N-(4'-chlorobiphenyl-2- yl)-nicotinamide
    • Z1948010801

  • Applications

    Boscalid (CAS 188425-85-6) is an SDHI fungicide widely used in crop protection programs to control fungal diseases on a range of crops, including fruits, vegetables, and ornamental plants. In agriculture it is applied as a protective treatment on field crops and in greenhouses, often as part of tank-mix formulations with other fungicides to broaden spectrum and support resistance management. It is also used for post-harvest protection to reduce decay and disease on stored fruit and vegetables, including grapes, apples, and berries. In horticulture and nursery production, boscalid-containing products help protect ornamental crops from Botrytis and other pathogens. As with most SDHI fungicides, application is subject to local regulations and label rates, and boscalid is typically used as part of active crop-protection programs rather than as a general-purpose additive.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 10.07
    methanol 11.86
    isopropanol 4.47
    water 0.0
    ethyl acetate 28.73
    n-propanol 10.5
    acetone 28.69
    n-butanol 8.35
    acetonitrile 5.64
    DMF 80.4
    toluene 15.31
    isobutanol 5.31
    1,4-dioxane 28.13
    methyl acetate 22.09
    THF 145.15
    2-butanone 53.52
    n-pentanol 7.82
    sec-butanol 7.52
    n-hexane 0.04
    ethylene glycol 1.57
    NMP 69.21
    cyclohexane 0.03
    DMSO 33.51
    n-butyl acetate 18.54
    n-octanol 1.15
    chloroform 64.53
    n-propyl acetate 21.92
    acetic acid 15.22
    dichloromethane 63.07
    cyclohexanone 56.77
    propylene glycol 6.03
    isopropyl acetate 16.89
    DMAc 168.99
    2-ethoxyethanol 31.0
    isopentanol 7.01
    n-heptane 0.12
    ethyl formate 17.81
    1,2-dichloroethane 31.96
    n-hexanol 5.34
    2-methoxyethanol 52.49
    isobutyl acetate 10.08
    tetrachloromethane 1.44
    n-pentyl acetate 10.66
    transcutol 91.71
    n-heptanol 3.23
    ethylbenzene 4.65
    MIBK 15.52
    2-propoxyethanol 32.65
    tert-butanol 4.28
    MTBE 6.25
    2-butoxyethanol 17.4
    propionic acid 11.05
    o-xylene 5.68
    formic acid 6.56
    diethyl ether 5.04
    m-xylene 5.81
    p-xylene 5.36
    chlorobenzene 20.02
    dimethyl carbonate 22.87
    n-octane 0.05
    formamide 15.94
    cyclopentanone 95.2
    2-pentanone 34.73
    anisole 23.25
    cyclopentyl methyl ether 19.84
    gamma-butyrolactone 80.58
    1-methoxy-2-propanol 38.44
    pyridine 74.09
    3-pentanone 23.06
    furfural 94.52
    n-dodecane 0.07
    diethylene glycol 21.51
    diisopropyl ether 1.32
    tert-amyl alcohol 6.36
    acetylacetone 50.57
    n-hexadecane 0.09
    acetophenone 29.39
    methyl propionate 31.72
    isopentyl acetate 15.66
    trichloroethylene 143.68
    n-nonanol 1.58
    cyclohexanol 7.04
    benzyl alcohol 24.82
    2-ethylhexanol 4.38
    isooctanol 3.21
    dipropyl ether 6.97
    1,2-dichlorobenzene 17.3
    ethyl lactate 16.17
    propylene carbonate 37.41
    n-methylformamide 30.69
    2-pentanol 4.47
    n-pentane 0.03
    1-propoxy-2-propanol 22.73
    1-methoxy-2-propyl acetate 39.91
    2-(2-methoxypropoxy) propanol 24.21
    mesitylene 2.21
    ε-caprolactone 52.89
    p-cymene 3.62
    epichlorohydrin 152.24
    1,1,1-trichloroethane 14.87
    2-aminoethanol 6.61
    morpholine-4-carbaldehyde 73.73
    sulfolane 74.0
    2,2,4-trimethylpentane 0.14
    2-methyltetrahydrofuran 38.09
    n-hexyl acetate 7.55
    isooctane 0.08
    2-(2-butoxyethoxy)ethanol 28.67
    sec-butyl acetate 14.37
    tert-butyl acetate 16.98
    decalin 0.15
    glycerin 11.37
    diglyme 62.1
    acrylic acid 12.67
    isopropyl myristate 4.22
    n-butyric acid 21.6
    acetyl acetate 17.8
    di(2-ethylhexyl) phthalate 8.09
    ethyl propionate 21.34
    nitromethane 43.08
    1,2-diethoxyethane 20.45
    benzonitrile 21.32
    trioctyl phosphate 3.86
    1-bromopropane 9.04
    gamma-valerolactone 148.47
    n-decanol 1.35
    triethyl phosphate 10.27
    4-methyl-2-pentanol 3.06
    propionitrile 9.58
    vinylene carbonate 37.82
    1,1,2-trichlorotrifluoroethane 84.44
    DMS 17.99
    cumene 2.64
    2-octanol 1.69
    2-hexanone 22.46
    octyl acetate 5.21
    limonene 4.65
    1,2-dimethoxyethane 48.87
    ethyl orthosilicate 8.98
    tributyl phosphate 5.32
    diacetone alcohol 25.73
    N,N-dimethylaniline 11.78
    acrylonitrile 17.59
    aniline 26.36
    1,3-propanediol 12.86
    bromobenzene 18.83
    dibromomethane 21.62
    1,1,2,2-tetrachloroethane 76.87
    2-methyl-cyclohexyl acetate 14.69
    tetrabutyl urea 8.87
    diisobutyl methanol 3.12
    2-phenylethanol 18.86
    styrene 7.06
    dioctyl adipate 10.96
    dimethyl sulfate 36.33
    ethyl butyrate 19.44
    methyl lactate 26.6
    butyl lactate 14.2
    diethyl carbonate 12.43
    propanediol butyl ether 12.63
    triethyl orthoformate 14.35
    p-tert-butyltoluene 3.24
    methyl 4-tert-butylbenzoate 19.87
    morpholine 48.8
    tert-butylamine 1.64
    n-dodecanol 1.11
    dimethoxymethane 55.97
    ethylene carbonate 24.74
    cyrene 31.99
    2-ethoxyethyl acetate 27.95
    2-ethylhexyl acetate 12.14
    1,2,4-trichlorobenzene 27.87
    4-methylpyridine 58.21
    dibutyl ether 3.16
    2,6-dimethyl-4-heptanol 3.12
    DEF 43.87
    dimethyl isosorbide 50.29
    tetrachloroethylene 32.64
    eugenol 24.48
    triacetin 18.89
    span 80 17.04
    1,4-butanediol 4.54
    1,1-dichloroethane 20.01
    2-methyl-1-pentanol 8.02
    methyl formate 22.91
    2-methyl-1-butanol 7.95
    n-decane 0.09
    butyronitrile 11.28
    3,7-dimethyl-1-octanol 2.36
    1-chlorooctane 0.87
    1-chlorotetradecane 0.49
    n-nonane 0.06
    undecane 0.08
    tert-butylcyclohexane 0.18
    cyclooctane 0.02
    cyclopentanol 9.74
    tetrahydropyran 21.97
    tert-amyl methyl ether 7.89
    2,5,8-trioxanonane 41.32
    1-hexene 0.73
    2-isopropoxyethanol 17.8
    2,2,2-trifluoroethanol 5.86
    methyl butyrate 28.79

    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