Flubendiamide

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  • Identifiers

    CAS number
    272451-65-7

    Molecular formula
    C23H22F7IN2O4S

    SMILES
    CC1=C(C=CC(=C1)C(C(F)(F)F)(C(F)(F)F)F)NC(=O)C2=C(C(=CC=C2)I)C(=O)NC(C)(C)CS(=O)(=O)C

    Safety labels

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Odorless 56.58%
    Savory 26.87%
    Cooling 25.8%
    Grape 21.04%
    Meaty 19.92%
    Citrus 19.62%
    Cooked 19.34%
    Animal 19.21%
    Fatty 18.93%
    Milky 18.68%

     

    Flavor
    Bitter 68.99%
    Odorless 36.89%
    Bland 29.1%
    Mild 20.38%
    Sweet-like 18.9%
    Nitrile 18.47%
    Cedarleaf 17.76%
    Oriental 17.41%
    Heather 17.39%
    Taco 17.38%

     

    Odor impact est.
    Odorless

  • Properties

    XLogP3-AA
    5.3

    pKa est.
    4.1 (weak acid)

    Molecular weight
    682.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1006°C

    Melting point expt.

    • 217.5-220.7 °C

    Flash point

    • 225.53 ˚C est.

    Solubility expt.

    • Solubility (g/L, 20 °C): p-xylene 0.488; n-heptane 0.000835; methanol 26.0; 1,2-dichloroethane 8.12; acetone 102; ethyl acetate 29.4
    • In water, 29.9 ug/L at 20 °C

  • Synonyms

    • flubendiamide
    • 272451-65-7
    • 3-Iodo-N2-(2-methyl-1-(methylsulfonyl)propan-2-yl)-N1-(2-methyl-4-(perfluoropropan-2-yl)phenyl)phthalamide
    • FAME
    • GEV84ZI4K6
    • FENOS
    • SYNAPSE
    • DTXSID4047672
    • CHEBI:38798
    • DTXCID2027672
    • NNI-0001
    • 3-iodo-N-(2-methanesulfonyl-1,1-dmethylethyl)-N'-(2-methyl-4-(1,2,2,2-tetrafluoro-1-trifluoromethylethyl)phenyl)phthalamide
    • N(2)-[1,1-dimethyl-2-(methylsulfonyl)ethyl]-3-iodo-N(1)-{2-methyl-4-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]phenyl}benzene-1,2-dicarboxamide
    • N(2)-(1,1-dimethyl-2-(methylsulfonyl)ethyl)-3-iodo-N(1)-(2-methyl-4-(1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl)phenyl)benzene-1,2-dicarboxamide
    • RefChem:140797
    • 460-420-9
    • Flubendiamide [ISO]
    • 1-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylphenyl]-3-iodo-2-N-(2-methyl-1-methylsulfonylpropan-2-yl)benzene-1,2-dicarboxamide
    • MFCD09953911
    • Flubendiamide 100 microg/mL in Acetonitrile
    • N(2)-[1,1-dimethyl-2-(methylsulfonyl)ethyl]-3-iodo-N(1)-{2-methyl-4-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]phenyl}phthalamide
    • UNII-GEV84ZI4K6
    • HSDB 7883
    • 1,2-BENZENEDICARBOXAMIDE, N2-(1,1-DIMETHYL-2-(METHYLSULFONYL)ETHYL)-3-IODO-N1-(2-METHYL-4-(1,2,2,2-TETRAFLUORO-1-(TRIFLUOROMETHYL)ETHYL)PHENYL)-
    • 1,2-Benzenedicarboxamide, N2-[1,1-dimethyl-2-(methylsulfonyl)ethyl]-3-iodo-N1-[2-methyl-4-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]phenyl]-
    • A1LVX
    • FLUBENDIAMIDE [MI]
    • SCHEMBL27362
    • C23H22F7IN2O4S
    • CHEMBL563789
    • SCHEMBL29369179
    • GLXC-22834
    • MSK20365
    • Tox21_303432
    • BDBM50488569
    • AKOS016007707
    • HY-W339331
    • NCGC00257277-01
    • CAS-272451-65-7
    • CS-0450557
    • NS00004502
    • C18520
    • G89809
    • Flubendiamide, PESTANAL(R), analytical standard
    • Q17300229
    • 3-IODO-N'-(2-MESYL-1,1-DIMETHYLETHYL)-N-(4-(1,2,2,2-TETRAFLUORO-1-(TRIFLUOROMETHYL)ETHYL)-O-TOLYL)PHTHALAMIDE
    • 3-IODO-N1-(2-MESYL-1,1-DIMETHYLETHYL)-N-(4-(1,2,2,2-TETRAFLUORO-1-(TRIFLUOROMETHYL)ETHYL)-O-TOLYL)PHTHALAMIDE
    • N(SUP 2)-(1,1-DIMETHYL-2-(METHYLSULFONYL)ETHYL)-3-IODO-N(SUP 1)-(2-METHYL-4-(1,2,2,2-TETRAFLUORO-1-(TRIFLUOROMETHYL)ETHYL)PHENYL)-1,2-BENZENEDICARBOXAMIDE
    • N~1~-[4-(1,1,1,2,3,3,3-Heptafluoropropan-2-yl)-2-methylphenyl]-3-iodo-N~2~-[1-(methanesulfonyl)-2-methylpropan-2-yl]benzene-1,2-dicarboxamide
    • N2-(1,1-dimethyl-2-methylsulfonyl-ethyl)-3-iodo-N1-[2-methyl-4-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]phenyl]phthalamide
    • 272451-65-7

  • Applications

    Flubendiamide is used primarily in agriculture as a selective insecticide to control lepidopteran pests on a range of crops, including vegetables, fruit crops, cereals and other high-value crops; it is also applied in greenhouse production and in nursery ornamentals to protect potted plants and cut flowers. It is formulated in products such as suspension concentrates and water-dispersible granules and is applied as foliar sprays or other standard crop-protection applications as part of integrated pest management programs.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 15.67
    methanol 27.72
    isopropanol 6.49
    water 0.02
    ethyl acetate 9.54
    n-propanol 10.27
    acetone 31.15
    n-butanol 6.91
    acetonitrile 10.66
    DMF 110.63
    toluene 2.72
    isobutanol 5.13
    1,4-dioxane 12.99
    methyl acetate 14.1
    THF 63.26
    2-butanone 24.46
    n-pentanol 4.97
    sec-butanol 6.04
    n-hexane 0.1
    ethylene glycol 5.1
    NMP 140.45
    cyclohexane 0.16
    DMSO 65.58
    n-butyl acetate 5.81
    n-octanol 1.19
    chloroform 20.49
    n-propyl acetate 6.94
    acetic acid 30.96
    dichloromethane 25.05
    cyclohexanone 24.18
    propylene glycol 9.98
    isopropyl acetate 5.0
    DMAc 92.9
    2-ethoxyethanol 18.17
    isopentanol 3.87
    n-heptane 0.14
    ethyl formate 12.13
    1,2-dichloroethane 12.83
    n-hexanol 3.28
    2-methoxyethanol 43.56
    isobutyl acetate 2.74
    tetrachloromethane 1.34
    n-pentyl acetate 4.59
    transcutol 16.09
    n-heptanol 2.01
    ethylbenzene 0.82
    MIBK 5.56
    2-propoxyethanol 18.48
    tert-butanol 4.52
    MTBE 2.97
    2-butoxyethanol 10.13
    propionic acid 12.73
    o-xylene 1.29
    formic acid 22.15
    diethyl ether 4.54
    m-xylene 1.23
    p-xylene 1.02
    chlorobenzene 3.2
    dimethyl carbonate 11.88
    n-octane 0.05
    formamide 33.53
    cyclopentanone 54.3
    2-pentanone 15.15
    anisole 4.09
    cyclopentyl methyl ether 8.22
    gamma-butyrolactone 58.58
    1-methoxy-2-propanol 27.8
    pyridine 24.42
    3-pentanone 10.69
    furfural 47.97
    n-dodecane 0.04
    diethylene glycol 13.07
    diisopropyl ether 0.6
    tert-amyl alcohol 4.79
    acetylacetone 20.71
    n-hexadecane 0.05
    acetophenone 7.55
    methyl propionate 14.69
    isopentyl acetate 3.55
    trichloroethylene 33.7
    n-nonanol 1.3
    cyclohexanol 3.67
    benzyl alcohol 6.79
    2-ethylhexanol 1.45
    isooctanol 1.28
    dipropyl ether 2.85
    1,2-dichlorobenzene 2.73
    ethyl lactate 6.71
    propylene carbonate 20.26
    n-methylformamide 46.83
    2-pentanol 2.96
    n-pentane 0.19
    1-propoxy-2-propanol 11.12
    1-methoxy-2-propyl acetate 10.76
    2-(2-methoxypropoxy) propanol 9.01
    mesitylene 0.46
    ε-caprolactone 20.36
    p-cymene 0.72
    epichlorohydrin 54.98
    1,1,1-trichloroethane 6.43
    2-aminoethanol 11.78
    morpholine-4-carbaldehyde 60.87
    sulfolane 77.27
    2,2,4-trimethylpentane 0.08
    2-methyltetrahydrofuran 17.63
    n-hexyl acetate 3.73
    isooctane 0.03
    2-(2-butoxyethoxy)ethanol 10.04
    sec-butyl acetate 3.18
    tert-butyl acetate 4.91
    decalin 0.06
    glycerin 15.18
    diglyme 19.64
    acrylic acid 16.34
    isopropyl myristate 1.2
    n-butyric acid 13.44
    acetyl acetate 6.73
    di(2-ethylhexyl) phthalate 2.7
    ethyl propionate 5.6
    nitromethane 60.8
    1,2-diethoxyethane 4.86
    benzonitrile 5.76
    trioctyl phosphate 1.6
    1-bromopropane 4.89
    gamma-valerolactone 75.39
    n-decanol 0.92
    triethyl phosphate 2.32
    4-methyl-2-pentanol 1.26
    propionitrile 8.22
    vinylene carbonate 17.77
    1,1,2-trichlorotrifluoroethane 44.97
    DMS 5.07
    cumene 0.46
    2-octanol 0.95
    2-hexanone 8.95
    octyl acetate 2.14
    limonene 1.15
    1,2-dimethoxyethane 23.71
    ethyl orthosilicate 1.93
    tributyl phosphate 1.74
    diacetone alcohol 12.65
    N,N-dimethylaniline 3.26
    acrylonitrile 14.7
    aniline 5.72
    1,3-propanediol 12.83
    bromobenzene 2.51
    dibromomethane 11.8
    1,1,2,2-tetrachloroethane 21.29
    2-methyl-cyclohexyl acetate 3.97
    tetrabutyl urea 4.06
    diisobutyl methanol 0.65
    2-phenylethanol 5.47
    styrene 1.17
    dioctyl adipate 3.17
    dimethyl sulfate 20.44
    ethyl butyrate 5.06
    methyl lactate 17.56
    butyl lactate 6.3
    diethyl carbonate 3.02
    propanediol butyl ether 7.65
    triethyl orthoformate 3.3
    p-tert-butyltoluene 0.73
    methyl 4-tert-butylbenzoate 7.53
    morpholine 26.39
    tert-butylamine 1.72
    n-dodecanol 0.61
    dimethoxymethane 40.73
    ethylene carbonate 11.02
    cyrene 21.83
    2-ethoxyethyl acetate 8.64
    2-ethylhexyl acetate 2.61
    1,2,4-trichlorobenzene 4.49
    4-methylpyridine 16.47
    dibutyl ether 1.09
    2,6-dimethyl-4-heptanol 0.65
    DEF 21.5
    dimethyl isosorbide 19.81
    tetrachloroethylene 11.2
    eugenol 8.88
    triacetin 6.78
    span 80 7.04
    1,4-butanediol 4.81
    1,1-dichloroethane 9.02
    2-methyl-1-pentanol 3.21
    methyl formate 34.37
    2-methyl-1-butanol 4.75
    n-decane 0.07
    butyronitrile 7.19
    3,7-dimethyl-1-octanol 0.95
    1-chlorooctane 0.5
    1-chlorotetradecane 0.19
    n-nonane 0.06
    undecane 0.05
    tert-butylcyclohexane 0.05
    cyclooctane 0.05
    cyclopentanol 9.11
    tetrahydropyran 9.22
    tert-amyl methyl ether 3.28
    2,5,8-trioxanonane 13.34
    1-hexene 0.72
    2-isopropoxyethanol 8.83
    2,2,2-trifluoroethanol 10.7
    methyl butyrate 8.91

    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