Prosulfuron

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  • Identifiers

    CAS number
    94125-34-5

    Molecular formula
    C15H16F3N5O4S

    SMILES
    CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2CCC(F)(F)F

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Odorless 66.42%
    Savory 30.67%
    Meaty 25.71%
    Cooked 25.21%
    Cooling 23.27%
    Grape 20.89%
    Roasted 18.54%
    Milky 17.87%
    Bitter 17.59%
    Fresh 15.58%

     

    Flavor
    Bitter 79.26%
    Odorless 40.9%
    Bland 29.18%
    Mild 21.74%
    Nitrile 19.15%
    Sweet-like 18.76%
    Cedarleaf 18.49%
    Taco 18.17%
    Roasted peanuts 18.03%
    Bread crust 18.01%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.4

    pKa est.
    4.32 (weak acid)

    Molecular weight
    419.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1189°C

    Melting point expt.

    • 155 °C (decomp.)

    Flash point

    • 172.67 ˚C est.
    • 100.00 °C (212.00 °F) - closed cup

    Solubility expt.

    • In water, 29 mg/L (pH 4.5), 87 mg/L (pH 5.0), 4000 mg/L (pH 6.8), 43000 mg/L (pH 7.7) at 25 °C
    • Solubility in g/L at 25 °C: ethanol 8.4, acetone 160, toluene 6.1, n-hexane 0.0064, n-octanol 1.4, ethyl acetate 56, dichloromethane 180

  • Synonyms

    • Prosulfuron
    • 94125-34-5
    • 1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-3-[2-(3,3,3-trifluoropropyl)phenylsulfonyl]urea
    • NG7LE47J14
    • CGA-152005
    • DTXSID9034868
    • 1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-3-[2-(3,3,3-trifluoropropyl)phenyl]sulfonyl-urea
    • Benzenesulfonamide, N-(((4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino)carbonyl)-2-(3,3,3-trifluoropropyl)-
    • 1-(4-METHOXY-6-METHYL-1,3,5-TRIAZIN-2-YL)-3-(2-(3,3,3-TRIFLUOROPROPYL)PHENYLSULFONYL)UREA
    • N-(((4-METHOXY-6-METHYL-1,3,5-TRIAZIN-2-YL)AMINO)CARBONYL)-2-(3,3,3-TRIFLUOROPROPYL)BENZENESULFONAMIDE
    • 1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-3-(2-(3,3,3-trifluoropropyl)phenyl)sulfonyl-urea
    • RefChem:176636
    • DTXCID7014868
    • 3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-1-(2-(3,3,3-trifluoropropyl)benzenesulfonyl)urea
    • 619-000-2
    • Prosulfuron [ISO]
    • 1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-3-[2-(3,3,3-trifluoropropyl)phenyl]sulfonylurea
    • peak
    • Benzenesulfonamide,N-[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]carbonyl]-2-(3,3,3-trifluoropropyl)-
    • C15H16F3N5O4S
    • UNII-NG7LE47J14
    • PROSULFURON [MI]
    • SCHEMBL56036
    • CHEBI:8523
    • CHEMBL2251587
    • SCHEMBL29440211
    • SCHEMBL30298017
    • HSDB 8445
    • MSK22277
    • AKOS015900032
    • CS-W021019
    • NCGC00163833-01
    • NCGC00163833-02
    • NCGC00163833-03
    • NCGC00163833-04
    • AC-18025
    • LS-14390
    • DB-057474
    • NS00005223
    • E78749
    • Prosulfuron, PESTANAL(R), analytical standard
    • 125P345
    • Q22808801
    • N-[(4-Methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]-2-(3,3,3-trifluoropropyl)benzene-1-sulfonamide
    • N-[2-(3,3,3-trifluoropropyl)-phenylsulfonyl]-N'-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-urea
    • 94125-34-5

  • Applications

    Prosulfuron (CAS number: 94125-34-5) is a sulfonylurea herbicide used in agriculture to control weeds in crops, especially in maize, sorghum, and sugarcane. It is a selective herbicide for annual grasses and broadleaf weeds, typically applied as a foliar spray after weeds have emerged. It is commonly used in crop protection programs as part of tank mixes with other herbicides to broaden the spectrum and support resistance management. It also plays a role in integrated weed management (IPM) programs and is used in formulation development, efficacy evaluation, and regulatory registration of products in local markets. It is employed as a research tool in agronomy and weed-science development to study ALS-inhibiting herbicides and weed-resistance dynamics.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 7.8
    methanol 16.57
    isopropanol 1.87
    water 0.07
    ethyl acetate 7.59
    n-propanol 4.2
    acetone 20.25
    n-butanol 3.27
    acetonitrile 6.54
    DMF 54.66
    toluene 0.5
    isobutanol 1.58
    1,4-dioxane 5.09
    methyl acetate 9.62
    THF 20.21
    2-butanone 17.17
    n-pentanol 1.23
    sec-butanol 2.13
    n-hexane 0.01
    ethylene glycol 2.84
    NMP 91.56
    cyclohexane 0.01
    DMSO 122.63
    n-butyl acetate 3.81
    n-octanol 0.24
    chloroform 3.6
    n-propyl acetate 3.97
    acetic acid 15.54
    dichloromethane 6.91
    cyclohexanone 13.79
    propylene glycol 4.25
    isopropyl acetate 2.61
    DMAc 67.42
    2-ethoxyethanol 12.43
    isopentanol 1.58
    n-heptane 0.01
    ethyl formate 14.19
    1,2-dichloroethane 4.35
    n-hexanol 0.65
    2-methoxyethanol 40.14
    isobutyl acetate 0.88
    tetrachloromethane 0.18
    n-pentyl acetate 1.63
    transcutol 10.29
    n-heptanol 0.39
    ethylbenzene 0.21
    MIBK 2.51
    2-propoxyethanol 11.3
    tert-butanol 1.14
    MTBE 0.69
    2-butoxyethanol 4.18
    propionic acid 7.28
    o-xylene 0.3
    formic acid 21.48
    diethyl ether 1.72
    m-xylene 0.25
    p-xylene 0.21
    chlorobenzene 0.8
    dimethyl carbonate 6.68
    n-octane 0.01
    formamide 38.11
    cyclopentanone 27.68
    2-pentanone 10.06
    anisole 1.76
    cyclopentyl methyl ether 1.95
    gamma-butyrolactone 36.96
    1-methoxy-2-propanol 16.23
    pyridine 9.49
    3-pentanone 6.51
    furfural 42.27
    n-dodecane 0.01
    diethylene glycol 12.23
    diisopropyl ether 0.14
    tert-amyl alcohol 1.48
    acetylacetone 14.85
    n-hexadecane 0.01
    acetophenone 3.61
    methyl propionate 9.63
    isopentyl acetate 2.05
    trichloroethylene 9.77
    n-nonanol 0.26
    cyclohexanol 1.05
    benzyl alcohol 2.3
    2-ethylhexanol 0.4
    isooctanol 0.27
    dipropyl ether 0.88
    1,2-dichlorobenzene 0.79
    ethyl lactate 4.69
    propylene carbonate 13.53
    n-methylformamide 33.22
    2-pentanol 0.88
    n-pentane 0.02
    1-propoxy-2-propanol 5.46
    1-methoxy-2-propyl acetate 6.52
    2-(2-methoxypropoxy) propanol 6.87
    mesitylene 0.11
    ε-caprolactone 14.26
    p-cymene 0.19
    epichlorohydrin 32.79
    1,1,1-trichloroethane 1.22
    2-aminoethanol 5.38
    morpholine-4-carbaldehyde 43.81
    sulfolane 66.4
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 5.33
    n-hexyl acetate 1.27
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 6.18
    sec-butyl acetate 1.49
    tert-butyl acetate 1.89
    decalin 0.01
    glycerin 11.83
    diglyme 14.83
    acrylic acid 9.17
    isopropyl myristate 0.46
    n-butyric acid 8.65
    acetyl acetate 4.03
    di(2-ethylhexyl) phthalate 1.5
    ethyl propionate 4.77
    nitromethane 51.3
    1,2-diethoxyethane 2.09
    benzonitrile 2.41
    trioctyl phosphate 0.7
    1-bromopropane 1.31
    gamma-valerolactone 63.52
    n-decanol 0.2
    triethyl phosphate 2.3
    4-methyl-2-pentanol 0.35
    propionitrile 4.05
    vinylene carbonate 14.06
    1,1,2-trichlorotrifluoroethane 23.92
    DMS 3.01
    cumene 0.12
    2-octanol 0.19
    2-hexanone 4.19
    octyl acetate 0.77
    limonene 0.24
    1,2-dimethoxyethane 20.29
    ethyl orthosilicate 1.48
    tributyl phosphate 1.08
    diacetone alcohol 5.65
    N,N-dimethylaniline 0.95
    acrylonitrile 7.98
    aniline 1.88
    1,3-propanediol 9.82
    bromobenzene 0.53
    dibromomethane 2.77
    1,1,2,2-tetrachloroethane 5.63
    2-methyl-cyclohexyl acetate 1.9
    tetrabutyl urea 2.15
    diisobutyl methanol 0.21
    2-phenylethanol 1.86
    styrene 0.27
    dioctyl adipate 1.68
    dimethyl sulfate 17.47
    ethyl butyrate 4.23
    methyl lactate 11.96
    butyl lactate 2.87
    diethyl carbonate 3.1
    propanediol butyl ether 2.89
    triethyl orthoformate 2.35
    p-tert-butyltoluene 0.15
    methyl 4-tert-butylbenzoate 3.44
    morpholine 9.79
    tert-butylamine 0.3
    n-dodecanol 0.15
    dimethoxymethane 20.73
    ethylene carbonate 8.67
    cyrene 13.37
    2-ethoxyethyl acetate 4.38
    2-ethylhexyl acetate 1.57
    1,2,4-trichlorobenzene 1.35
    4-methylpyridine 6.97
    dibutyl ether 0.34
    2,6-dimethyl-4-heptanol 0.21
    DEF 14.11
    dimethyl isosorbide 13.13
    tetrachloroethylene 2.45
    eugenol 4.43
    triacetin 3.3
    span 80 3.08
    1,4-butanediol 2.18
    1,1-dichloroethane 1.83
    2-methyl-1-pentanol 1.0
    methyl formate 27.49
    2-methyl-1-butanol 1.94
    n-decane 0.01
    butyronitrile 4.53
    3,7-dimethyl-1-octanol 0.24
    1-chlorooctane 0.08
    1-chlorotetradecane 0.04
    n-nonane 0.01
    undecane 0.01
    tert-butylcyclohexane 0.01
    cyclooctane 0.01
    cyclopentanol 2.03
    tetrahydropyran 2.32
    tert-amyl methyl ether 1.01
    2,5,8-trioxanonane 11.59
    1-hexene 0.12
    2-isopropoxyethanol 3.7
    2,2,2-trifluoroethanol 6.21
    methyl butyrate 7.73

    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