Flazasulfuron

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  • Identifiers

    CAS number
    104040-78-0

    Molecular formula
    C13H12F3N5O5S

    SMILES
    COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=C(C=CC=N2)C(F)(F)F)OC

    Safety labels

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Odorless 71.25%
    Savory 27.14%
    Cooked 23.36%
    Cooling 21.75%
    Meaty 20.96%
    Grape 19.29%
    Roasted 19.19%
    Milky 17.17%
    Bitter 16.48%
    Fresh 13.98%

     

    Flavor
    Bitter 84.33%
    Odorless 39.97%
    Bland 28.58%
    Nitrile 18.5%
    Sweet-like 18.45%
    Mild 17.95%
    Cedarleaf 17.89%
    Taco 17.88%
    Roasted peanuts 17.77%
    Bread crust 17.76%

     

    Odor impact est.
    Odorless

  • Properties

    XLogP3-AA
    2.0

    pKa est.
    3.78 (weak acid)

    Molecular weight
    407.33 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    743°C

    Melting point expt.

    • 164-166 °C
    • MP: 180 °C (99.7% purity)

    Flash point

    • 167.4 ˚C est.

    Solubility expt.

    • In octanol 0.2, methanol 4.2, acetone 22.7, dichloromethane 22.1, ethyl acetate 6.9, toluene 0.56, acetonitrile 8.7 (all in g/L, 25 °C); in hexane 0.5 mg/L at 25 °C
    • Solubility at 20 °C (w/w%): Acetone 1.2%; toluene 0.06%; at 25 °C (w/v%): acetic acid 0.67%
    • In water, 4.1 ppm (pH 1)
    • In water, 0.027 (pH 5), 2.1 (pH 7) (g/L, 25 °C)

  • Synonyms

    • Flazasulfuron
    • 104040-78-0
    • Shibagen
    • Flazasulfuron [ISO]
    • Shibagen [Japanese]
    • SL-160
    • OK-1166
    • UNII-3SB13WWV30
    • 1-(4,6-Dimethoxypyrimidin-2-yl)-3-(3-trifluoromethyl-2-pyridylsulfonyl)urea
    • KATANA
    • 3SB13WWV30
    • HSDB 7957
    • N-(((4,6-Dimethoxy-2-pyrimidinyl)amino)carbonyl)-3-(trifluoromethyl)-2-pyridinesulfonamide
    • FLAZASULFURON [MI]
    • 2-Pyridinesulfonamide, N-(((4,6-dimethoxy-2-pyrimidinyl)amino)carbonyl)-3-(trifluoromethyl)-
    • DTXSID3034610
    • CHEBI:81749
    • 1-(4,6-dimethoxypyrimidin-2-yl)-3-[3-(trifluoromethyl)pyridin-2-yl]sulfonylurea
    • Flazasulfuron 100 microg/mL in Acetonitrile
    • 1-(4,6-dimethoxy-2-pyrimidinyl)-3-[[3-(trifluoromethyl)-2-pyridinyl]sulfonyl]urea
    • 2-Pyridinesulfonamide, N-[[(4,6-dimethoxy-2-pyrimidinyl)amino]carbonyl]-3-(trifluoromethyl)-
    • N-((4,6-dimethoxypyrimidin-2-yl)carbamoyl)-3-(trifluoromethyl)pyridine-2-sulfonamide
    • N-(4,6-Dimethoxy-2-pyrimidinylaminocarbonyl)-3-(trifluoromethyl)-2-pyridinesulfonamide
    • SCHEMBL54678
    • CHEMBL1878071
    • DTXCID1014610
    • AKOS015900343
    • FF37008
    • USEPA/OPP Pesticide Code: 119011
    • NCGC00164266-01
    • DB-040506
    • CS-0440149
    • NS00000142
    • C18441
    • F21476
    • Flazasulfuron, PESTANAL(R), analytical standard
    • Q3073504
    • 600-514-0
    • FLAZASULFURON;1-(4,6-DIMETHOXYPYRIMIDIN-2-YL)-3-(3-TRIFLUOROMETHYL-2-PYRIDYLSULFONYL)UREA

  • Applications

    Flazasulfuron (CAS 104040-78-0) is a selective systemic sulfonylurea herbicide used in agriculture to control annual grasses and broadleaf weeds; it is applied as pre- or post-emergence treatment in cropped fields, with crops typically tolerant including cereals, sugarcane, maize and rice, helping suppress weed populations and reduce crop competition; it is commonly formulated as water-dispersible granules or emulsifiable concentrates and is frequently used in tank-mix programs with other herbicides to broaden spectrum and support resistance management; its use is integrated into weed-management plans and crop rotation schemes, and remains subject to local regulations, dosage, and crop-tolerance considerations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.53
    methanol 2.5
    isopropanol 0.31
    water 0.01
    ethyl acetate 3.51
    n-propanol 0.84
    acetone 4.78
    n-butanol 0.67
    acetonitrile 2.96
    DMF 7.21
    toluene 0.44
    isobutanol 0.29
    1,4-dioxane 3.08
    methyl acetate 3.92
    THF 10.71
    2-butanone 6.34
    n-pentanol 0.29
    sec-butanol 0.42
    n-hexane 0.01
    ethylene glycol 0.32
    NMP 37.1
    cyclohexane 0.02
    DMSO 38.92
    n-butyl acetate 2.01
    n-octanol 0.11
    chloroform 1.22
    n-propyl acetate 1.74
    acetic acid 2.73
    dichloromethane 2.74
    cyclohexanone 7.47
    propylene glycol 0.34
    isopropyl acetate 1.02
    DMAc 20.2
    2-ethoxyethanol 2.65
    isopentanol 0.34
    n-heptane 0.01
    ethyl formate 5.23
    1,2-dichloroethane 1.93
    n-hexanol 0.26
    2-methoxyethanol 7.1
    isobutyl acetate 0.37
    tetrachloromethane 0.09
    n-pentyl acetate 0.7
    transcutol 2.01
    n-heptanol 0.17
    ethylbenzene 0.17
    MIBK 0.84
    2-propoxyethanol 3.14
    tert-butanol 0.21
    MTBE 0.24
    2-butoxyethanol 1.41
    propionic acid 1.35
    o-xylene 0.27
    formic acid 3.86
    diethyl ether 0.72
    m-xylene 0.16
    p-xylene 0.21
    chlorobenzene 0.45
    dimethyl carbonate 1.96
    n-octane 0.01
    formamide 7.48
    cyclopentanone 13.16
    2-pentanone 2.94
    anisole 0.86
    cyclopentyl methyl ether 1.1
    gamma-butyrolactone 16.89
    1-methoxy-2-propanol 2.33
    pyridine 5.73
    3-pentanone 2.73
    furfural 17.99
    n-dodecane 0.01
    diethylene glycol 2.39
    diisopropyl ether 0.06
    tert-amyl alcohol 0.31
    acetylacetone 4.72
    n-hexadecane 0.01
    acetophenone 1.91
    methyl propionate 3.36
    isopentyl acetate 1.07
    trichloroethylene 3.3
    n-nonanol 0.13
    cyclohexanol 0.34
    benzyl alcohol 0.77
    2-ethylhexanol 0.17
    isooctanol 0.11
    dipropyl ether 0.46
    1,2-dichlorobenzene 0.41
    ethyl lactate 1.21
    propylene carbonate 5.77
    n-methylformamide 6.0
    2-pentanol 0.19
    n-pentane 0.01
    1-propoxy-2-propanol 1.42
    1-methoxy-2-propyl acetate 2.56
    2-(2-methoxypropoxy) propanol 1.9
    mesitylene 0.07
    ε-caprolactone 6.98
    p-cymene 0.14
    epichlorohydrin 12.58
    1,1,1-trichloroethane 0.47
    2-aminoethanol 0.66
    morpholine-4-carbaldehyde 12.3
    sulfolane 26.95
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 3.49
    n-hexyl acetate 0.52
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 1.76
    sec-butyl acetate 0.69
    tert-butyl acetate 0.78
    decalin 0.01
    glycerin 1.04
    diglyme 4.22
    acrylic acid 1.64
    isopropyl myristate 0.22
    n-butyric acid 1.81
    acetyl acetate 2.04
    di(2-ethylhexyl) phthalate 0.58
    ethyl propionate 2.28
    nitromethane 14.0
    1,2-diethoxyethane 0.83
    benzonitrile 1.34
    trioctyl phosphate 0.29
    1-bromopropane 0.69
    gamma-valerolactone 23.11
    n-decanol 0.1
    triethyl phosphate 1.33
    4-methyl-2-pentanol 0.08
    propionitrile 1.75
    vinylene carbonate 4.86
    1,1,2-trichlorotrifluoroethane 5.56
    DMS 1.1
    cumene 0.08
    2-octanol 0.08
    2-hexanone 1.81
    octyl acetate 0.4
    limonene 0.16
    1,2-dimethoxyethane 6.55
    ethyl orthosilicate 0.8
    tributyl phosphate 0.43
    diacetone alcohol 1.62
    N,N-dimethylaniline 0.45
    acrylonitrile 3.02
    aniline 0.79
    1,3-propanediol 1.45
    bromobenzene 0.35
    dibromomethane 1.31
    1,1,2,2-tetrachloroethane 1.68
    2-methyl-cyclohexyl acetate 1.08
    tetrabutyl urea 0.98
    diisobutyl methanol 0.08
    2-phenylethanol 0.78
    styrene 0.2
    dioctyl adipate 0.73
    dimethyl sulfate 4.97
    ethyl butyrate 2.37
    methyl lactate 2.27
    butyl lactate 0.74
    diethyl carbonate 1.93
    propanediol butyl ether 0.58
    triethyl orthoformate 1.18
    p-tert-butyltoluene 0.09
    methyl 4-tert-butylbenzoate 1.24
    morpholine 3.87
    tert-butylamine 0.07
    n-dodecanol 0.07
    dimethoxymethane 4.34
    ethylene carbonate 3.53
    cyrene 4.12
    2-ethoxyethyl acetate 1.68
    2-ethylhexyl acetate 0.9
    1,2,4-trichlorobenzene 0.68
    4-methylpyridine 3.69
    dibutyl ether 0.18
    2,6-dimethyl-4-heptanol 0.08
    DEF 4.13
    dimethyl isosorbide 5.15
    tetrachloroethylene 0.99
    eugenol 1.37
    triacetin 1.01
    span 80 0.77
    1,4-butanediol 0.3
    1,1-dichloroethane 0.6
    2-methyl-1-pentanol 0.24
    methyl formate 5.8
    2-methyl-1-butanol 0.42
    n-decane 0.01
    butyronitrile 1.63
    3,7-dimethyl-1-octanol 0.09
    1-chlorooctane 0.05
    1-chlorotetradecane 0.03
    n-nonane 0.01
    undecane 0.01
    tert-butylcyclohexane 0.0
    cyclooctane 0.01
    cyclopentanol 0.64
    tetrahydropyran 1.57
    tert-amyl methyl ether 0.38
    2,5,8-trioxanonane 3.69
    1-hexene 0.07
    2-isopropoxyethanol 0.85
    2,2,2-trifluoroethanol 1.31
    methyl butyrate 3.34

    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