Triflusulfuron

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  • Identifiers

    CAS number
    135990-29-3

    Molecular formula
    C16H17F3N6O6S

    SMILES
    CC1=C(C(=CC=C1)C(=O)O)S(=O)(=O)NC(=O)NC2=NC(=NC(=N2)OCC(F)(F)F)N(C)C

    Safety labels

  • Odor profile

    Fragrance
    Odorless 72.75%
    Savory 31.16%
    Cooked 23.98%
    Meaty 23.65%
    Cooling 22.26%
    Grape 20.82%
    Milky 19.75%
    Bitter 17.63%
    Roasted 16.71%
    Fatty 14.96%

     

    Flavor
    Bitter 77.67%
    Odorless 46.52%
    Bland 31.3%
    Mild 22.18%
    Sweet-like 19.44%
    Nitrile 18.85%
    Roasted peanuts 18.38%
    Taco 18.32%
    Yeast 18.2%
    Bread crust 18.14%

     

    Odor impact est.
    Odorless

  • Properties

    XLogP3-AA
    2.8

    pKa est.
    2.75 (strong acid)

    Molecular weight
    478.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1874°C

    Flash point

    • 212.29 ˚C est.

  • Synonyms

    • Triflusulfuron
    • 135990-29-3
    • Triflusulfuron [ISO]
    • 2-[[4-(dimethylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]carbamoylsulfamoyl]-3-methylbenzoic acid
    • 019NSK845Q
    • 2-({[4-(dimethylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]carbamoyl}sulfamoyl)-3-methylbenzoic acid
    • 2-[[[[[4-(dimethylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]carbonyl]amino]sulfonyl]-3-methylbenzoic acid
    • 2-[4-dimethylamino-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-ylcarbamoylsulfamoyl]-m-toluic acid
    • UNII-019NSK845Q
    • 2-(((((4-(DIMETHYLAMINO)-6-(2,2,2-TRIFLUOROETHOXY)-1,3,5-TRIAZIN-2-YL)AMINO)CARBONYL)AMINO)SULFONYL)-3-METHYLBENZOIC ACID
    • 2-(4-DIMETHYLAMINO-6-(2,2,2-TRIFLUOROETHOXY)-1,3,5-TRIAZIN-2-YLCARBAMOYLSULFAMOYL)-M-TOLUIC ACID
    • 2-[[[[[4-(Dimethylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]carbonyl]amino]sulfonyl]-3-methylbenzoic Acid; Debut;
    • triflusulfuron-methyl TP5
    • SCHEMBL55458
    • SCHEMBL29415215
    • DTXSID10159614
    • AKTQJCBOGPBERP-UHFFFAOYSA-N
    • CHEBI:142847
    • MSK22871
    • FT103412
    • NS00001864
    • 990T293
    • Q27231418
    • 2-(N-{[4-(dimethylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]carbamoyl}sulfamoyl)-3-methylbenzoic acid
    • Benzoic acid, 2-(((((4-(dimethylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl)amino)carbonyl)amino)sulfonyl)-3-methyl-
    • 135990-29-3

  • Applications

    Triflusulfuron (CAS 135990-29-3) is used primarily as an active ingredient in agricultural herbicide formulations for selective post-emergence weed control in crop protection programs. It is formulated with adjuvants and surfactants to optimize foliar uptake and field efficacy and is routinely evaluated for tank-mix compatibility with other herbicides. In agrochemical development, it serves in formulation development and quality control of sulfonylurea-class herbicides. It may be used as an intermediate in the synthesis of related herbicidal compounds within industrial manufacturing. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.43
    methanol 3.99
    isopropanol 0.45
    water 0.02
    ethyl acetate 1.37
    n-propanol 1.26
    acetone 3.75
    n-butanol 0.84
    acetonitrile 1.66
    DMF 8.39
    toluene 0.15
    isobutanol 0.38
    1,4-dioxane 1.41
    methyl acetate 2.18
    THF 7.34
    2-butanone 4.49
    n-pentanol 0.34
    sec-butanol 0.54
    n-hexane 0.0
    ethylene glycol 0.51
    NMP 23.49
    cyclohexane 0.01
    DMSO 35.6
    n-butyl acetate 0.91
    n-octanol 0.08
    chloroform 1.0
    n-propyl acetate 0.8
    acetic acid 3.58
    dichloromethane 1.89
    cyclohexanone 3.82
    propylene glycol 0.68
    isopropyl acetate 0.37
    DMAc 15.22
    2-ethoxyethanol 2.75
    isopentanol 0.36
    n-heptane 0.0
    ethyl formate 3.8
    1,2-dichloroethane 1.12
    n-hexanol 0.2
    2-methoxyethanol 8.69
    isobutyl acetate 0.16
    tetrachloromethane 0.06
    n-pentyl acetate 0.35
    transcutol 1.58
    n-heptanol 0.13
    ethylbenzene 0.05
    MIBK 0.43
    2-propoxyethanol 2.67
    tert-butanol 0.22
    MTBE 0.13
    2-butoxyethanol 1.25
    propionic acid 1.42
    o-xylene 0.08
    formic acid 5.36
    diethyl ether 0.38
    m-xylene 0.05
    p-xylene 0.06
    chlorobenzene 0.19
    dimethyl carbonate 0.99
    n-octane 0.0
    formamide 8.5
    cyclopentanone 8.56
    2-pentanone 1.94
    anisole 0.34
    cyclopentyl methyl ether 0.46
    gamma-butyrolactone 10.08
    1-methoxy-2-propanol 2.55
    pyridine 3.35
    3-pentanone 1.34
    furfural 11.05
    n-dodecane 0.0
    diethylene glycol 2.1
    diisopropyl ether 0.02
    tert-amyl alcohol 0.33
    acetylacetone 2.0
    n-hexadecane 0.0
    acetophenone 0.8
    methyl propionate 1.74
    isopentyl acetate 0.44
    trichloroethylene 2.19
    n-nonanol 0.08
    cyclohexanol 0.25
    benzyl alcohol 0.53
    2-ethylhexanol 0.09
    isooctanol 0.07
    dipropyl ether 0.18
    1,2-dichlorobenzene 0.16
    ethyl lactate 0.77
    propylene carbonate 2.81
    n-methylformamide 7.22
    2-pentanol 0.19
    n-pentane 0.01
    1-propoxy-2-propanol 1.09
    1-methoxy-2-propyl acetate 1.02
    2-(2-methoxypropoxy) propanol 1.31
    mesitylene 0.02
    ε-caprolactone 3.49
    p-cymene 0.04
    epichlorohydrin 9.04
    1,1,1-trichloroethane 0.27
    2-aminoethanol 1.12
    morpholine-4-carbaldehyde 8.26
    sulfolane 15.9
    2,2,4-trimethylpentane 0.0
    2-methyltetrahydrofuran 1.79
    n-hexyl acetate 0.27
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 1.31
    sec-butyl acetate 0.25
    tert-butyl acetate 0.26
    decalin 0.0
    glycerin 1.76
    diglyme 2.87
    acrylic acid 1.71
    isopropyl myristate 0.08
    n-butyric acid 1.72
    acetyl acetate 0.54
    di(2-ethylhexyl) phthalate 0.29
    ethyl propionate 0.92
    nitromethane 10.59
    1,2-diethoxyethane 0.37
    benzonitrile 0.61
    trioctyl phosphate 0.15
    1-bromopropane 0.43
    gamma-valerolactone 16.36
    n-decanol 0.06
    triethyl phosphate 0.44
    4-methyl-2-pentanol 0.06
    propionitrile 1.15
    vinylene carbonate 2.74
    1,1,2-trichlorotrifluoroethane 4.95
    DMS 0.43
    cumene 0.03
    2-octanol 0.05
    2-hexanone 1.07
    octyl acetate 0.17
    limonene 0.05
    1,2-dimethoxyethane 4.72
    ethyl orthosilicate 0.27
    tributyl phosphate 0.2
    diacetone alcohol 0.93
    N,N-dimethylaniline 0.18
    acrylonitrile 2.2
    aniline 0.45
    1,3-propanediol 2.15
    bromobenzene 0.13
    dibromomethane 0.83
    1,1,2,2-tetrachloroethane 1.18
    2-methyl-cyclohexyl acetate 0.37
    tetrabutyl urea 0.49
    diisobutyl methanol 0.03
    2-phenylethanol 0.4
    styrene 0.06
    dioctyl adipate 0.28
    dimethyl sulfate 2.57
    ethyl butyrate 0.87
    methyl lactate 1.7
    butyl lactate 0.56
    diethyl carbonate 0.63
    propanediol butyl ether 0.61
    triethyl orthoformate 0.43
    p-tert-butyltoluene 0.03
    methyl 4-tert-butylbenzoate 0.58
    morpholine 2.74
    tert-butylamine 0.06
    n-dodecanol 0.04
    dimethoxymethane 3.34
    ethylene carbonate 1.63
    cyrene 2.69
    2-ethoxyethyl acetate 0.81
    2-ethylhexyl acetate 0.34
    1,2,4-trichlorobenzene 0.27
    4-methylpyridine 1.93
    dibutyl ether 0.08
    2,6-dimethyl-4-heptanol 0.03
    DEF 2.59
    dimethyl isosorbide 2.44
    tetrachloroethylene 0.64
    eugenol 0.81
    triacetin 0.43
    span 80 0.54
    1,4-butanediol 0.45
    1,1-dichloroethane 0.41
    2-methyl-1-pentanol 0.24
    methyl formate 5.6
    2-methyl-1-butanol 0.48
    n-decane 0.0
    butyronitrile 1.26
    3,7-dimethyl-1-octanol 0.05
    1-chlorooctane 0.02
    1-chlorotetradecane 0.01
    n-nonane 0.0
    undecane 0.0
    tert-butylcyclohexane 0.0
    cyclooctane 0.0
    cyclopentanol 0.6
    tetrahydropyran 0.83
    tert-amyl methyl ether 0.19
    2,5,8-trioxanonane 2.02
    1-hexene 0.04
    2-isopropoxyethanol 0.7
    2,2,2-trifluoroethanol 1.27
    methyl butyrate 1.67

    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