Carfentrazone-ethyl

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  • Identifiers

    CAS number
    128639-02-1

    Molecular formula
    C15H14Cl2F3N3O3

    SMILES
    CCOC(=O)C(CC1=CC(=C(C=C1Cl)F)N2C(=O)N(C(=N2)C)C(F)F)Cl

    Safety labels

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Odorless 66.79%
    Grape 26.2%
    Savory 22.25%
    Milky 21.34%
    Bitter 19.38%
    Cooked 18.59%
    Cooling 18.06%
    Animal 17.56%
    Roasted 16.92%
    Musk 16.75%

     

    Flavor
    Bitter 84.32%
    Odorless 48.76%
    Bland 30.71%
    Mild 24.64%
    Sweet-like 21.56%
    Nitrile 19.34%
    Cedarleaf 18.91%
    Orange flower 18.38%
    Bread crust 18.38%
    Yeast 18.31%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.0

    pKa est.
    4.58 (weak acid)

    Molecular weight
    412.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • -22.1 °C

    Boiling point

    • 350-355 °C

    Flash point

    • 206.07 ˚C est.

    Solubility expt.

    • In water, 12 mg/L at 20 °C, 22 mg/L at 25 °C, and 23 mg/L at 30 °C.
    • Solubility in toluene 0.9 g/mL at 20 °C,1.06 g/mL at 25 °C, 1.2 g/mL at 25 °C. Solubility in hexane 0.03 g/mL at 20 °C, 0.05 g/mL at 25 °C, 0.05 g/mL at 30 °C. Miscible in all proportions with acetone, ethanol, ethyl acetate, methylene chloride.

  • Synonyms

    • Carfentrazone-ethyl
    • 128639-02-1
    • Aurora
    • Kuaimieling
    • Spotlight
    • Spotlight 24EC
    • Aurora (pesticide)
    • Aurora 50WG
    • F 8426
    • DTXSID4032532
    • 45Y208AO5K
    • F8426
    • Benzenepropanoic acid, alpha,2-dichloro-5-[4-(difluoromethyl)-4,5-dihydro-3-methyl-5-oxo-1H-1,2,4-triazol-1-yl]-4-fluoro-, ethyl ester
    • DTXCID2012532
    • Ethyl 2-chloro-3-(2-chloro-4-fluoro-5-(4-(difluoromethyl)-4,5-dihydro-3-methyl-5-oxo-1H-1,2,4-triazol-1-yl)phenyl)propanoate
    • ethyl 2-chloro-3-[2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]-4-fluoro-phenyl]propanoate
    • BENZENEPROPANOIC ACID, ALPHA,2-DICHLORO-5-(4-(DIFLUOROMETHYL)-4,5-DIHYDRO-3-METHYL-5-OXO-1H-1,2,4-TRIAZOL-1-YL)-4-FLUORO-, ETHYL ESTER
    • ethyl 2-chloro-3-(2-chloro-5-(4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl)-4-fluoro-phenyl)propanoate
    • RefChem:574669
    • CHEBI:3416
    • 603-291-8
    • carfentrazone-ethyl (ISO); ethyl (RS)-2-chloro-3-(2-chloro-4-fluoro-5-(4-difluoromethyl-4,5-dihydro-3-methyl-5-oxo-1H-1,2,4-triazol-1-yl)phenyl)propionate
    • ethyl alpha-2-dichloro-5-(4-(difluoromethyl)-4,5-dihydro-3-methyl-5-oxo-1H-1,2,4-triazol-1-yl)-4-fluorobenzenepropanoate
    • Carfentrazone ethyl
    • ethyl 2-chloro-3-[2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]-4-fluorophenyl]propanoate
    • AIM
    • Carfentrazone Ethyl Ester
    • Carfentrazone-ethyl 10 microg/mL in Cyclohexane
    • ethyl 2-chloro-3-{2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propanoate
    • Carfentrazone-ethyl [ISO:BSI]
    • HSDB 7253
    • UNII-45Y208AO5K
    • EINECS Annex I Index 607-309-00-5
    • ethyl 2-chloro-3-(2-chloro-5-(4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)-4-fluorophenyl)propanoate
    • AURORA [HSDB]
    • SCHEMBL38936
    • ((14)C)carfentrazone-ethyl
    • C15H14Cl2F3N3O3
    • CARFENTRAZONE-ETHYL [MI]
    • CHEMBL2145069
    • SCHEMBL29436144
    • CARFENTRAZONE-ETHYL [ISO]
    • CHEBI:138244
    • MSK22500
    • Tox21_300994
    • NCGC00163914-01
    • NCGC00163914-02
    • NCGC00163914-03
    • NCGC00254896-01
    • Benzenepropanoic acid, .alpha.,2-dichloro-5-(4-(difluoromethyl)-4,5-dihydro-3-methyl-5-oxo-1H-1,2,4-triazol-1-yl)-4-fluoro-, ethyl ester
    • Ethyl 2-chloro-3-{2-chloro-5-[4-(difluoromethyl)-4,5-dihydro-3-methyl-5-oxo-1H-1,2,4-triazol-1-yl]-4-fluoro-phenyl}propionate
    • FC103590
    • DB-041904
    • CAS-128639-02-1
    • Carfentrazone-ethyl 10 microg/mL in Acetonitrile
    • 639C021
    • Carfentrazone-ethyl, PESTANAL(R), analytical standard
    • Q22807209
    • BENZENEPROPANOIC ACID, .ALPHA.,2-DICHLORO-5-(4- (DIFLUOROMETHYL)-4,5-DIHYDRO-3-METHYL-5-OXO-1H-1,2,4- TRIAZOL-1-YL)-4-FLUORO-, ETHYL ESTER
    • Benzenepropanoic acid, alpha, 2-dichloro-5-(4-(difluoromethyl)-4,5-dihydro-3-methyl-5-oxo-1H-1,2,4-triazol-1-yl)-4-fluoro-, ethyl ester
    • ETHYL (RS)-2-CHLORO-3-(2-CHLORO-5-(4-(DIFLUOROMETHYL)-4,5-DIHYDRO-3-METHYL-5-OXO-1H-1,2,4-TRIAZOL-1-YL)-4-FLUOROPHENYL)PROPIONATE
    • ETHYL 2-CHLORO-3-(2-CHLORO-4-FLUORO-5-(4-(DIFLUOROMETHYL)- 4,5-DIHYDRO-3-METHYL-5-OXO-1H-1,2,4-TRIAZOL-1- YL)PHENYL)PROPANOATE
    • Ethyl 2-chloro-3-(2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl)propanoate #
    • Ethyl-alpha,2-dichloro-5-[4-(difluoromethyl)-4,5-dihydro-3-methyl-5-oxo-1H-1,2,4-triazol-1-yl]-4-fluorobenzenepropanoate
    • 128639-02-1

  • Applications

    Carfentrazone-ethyl (CAS 128639-02-1) is a selective post-emergence herbicide used in agriculture to control broadleaf weeds in crops such as soybean, corn, cotton, and sugarcane; it acts as a PPO (protoporphyrinogen oxidase) inhibitor, causing rapid lipid peroxidation and weed kill on treated plants; it is typically formulated as an emulsifiable concentrate (EC) and is commonly applied in tank mixes with other herbicides to broaden weed control; its use is restricted to professional agricultural settings and subject to local regulations and label limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 42.88
    methanol 66.76
    isopropanol 25.51
    water 0.11
    ethyl acetate 79.28
    n-propanol 38.21
    acetone 268.64
    n-butanol 32.44
    acetonitrile 100.94
    DMF 329.83
    toluene 12.73
    isobutanol 27.42
    1,4-dioxane 106.07
    methyl acetate 109.66
    THF 275.56
    2-butanone 170.61
    n-pentanol 28.62
    sec-butanol 33.61
    n-hexane 0.29
    ethylene glycol 11.08
    NMP 345.55
    cyclohexane 0.57
    DMSO 400.93
    n-butyl acetate 37.2
    n-octanol 6.27
    chloroform 104.58
    n-propyl acetate 57.06
    acetic acid 114.47
    dichloromethane 142.49
    cyclohexanone 192.77
    propylene glycol 15.98
    isopropyl acetate 38.27
    DMAc 467.06
    2-ethoxyethanol 100.45
    isopentanol 29.09
    n-heptane 0.3
    ethyl formate 74.66
    1,2-dichloroethane 86.27
    n-hexanol 13.33
    2-methoxyethanol 158.87
    isobutyl acetate 22.15
    tetrachloromethane 4.77
    n-pentyl acetate 25.5
    transcutol 110.78
    n-heptanol 8.75
    ethylbenzene 7.05
    MIBK 43.08
    2-propoxyethanol 90.08
    tert-butanol 31.14
    MTBE 19.25
    2-butoxyethanol 40.99
    propionic acid 53.45
    o-xylene 8.79
    formic acid 65.51
    diethyl ether 27.2
    m-xylene 6.65
    p-xylene 11.0
    chlorobenzene 18.55
    dimethyl carbonate 60.66
    n-octane 0.2
    formamide 126.02
    cyclopentanone 239.16
    2-pentanone 103.14
    anisole 34.55
    cyclopentyl methyl ether 40.05
    gamma-butyrolactone 239.12
    1-methoxy-2-propanol 105.56
    pyridine 112.53
    3-pentanone 75.94
    furfural 184.61
    n-dodecane 0.27
    diethylene glycol 76.73
    diisopropyl ether 3.71
    tert-amyl alcohol 34.58
    acetylacetone 144.42
    n-hexadecane 0.31
    acetophenone 59.27
    methyl propionate 92.48
    isopentyl acetate 28.01
    trichloroethylene 169.72
    n-nonanol 7.02
    cyclohexanol 29.79
    benzyl alcohol 48.25
    2-ethylhexanol 9.29
    isooctanol 7.92
    dipropyl ether 14.87
    1,2-dichlorobenzene 18.55
    ethyl lactate 43.98
    propylene carbonate 102.08
    n-methylformamide 143.2
    2-pentanol 16.67
    n-pentane 0.35
    1-propoxy-2-propanol 51.03
    1-methoxy-2-propyl acetate 58.06
    2-(2-methoxypropoxy) propanol 62.51
    mesitylene 3.17
    ε-caprolactone 139.45
    p-cymene 4.85
    epichlorohydrin 253.74
    1,1,1-trichloroethane 42.26
    2-aminoethanol 25.75
    morpholine-4-carbaldehyde 224.33
    sulfolane 290.87
    2,2,4-trimethylpentane 0.32
    2-methyltetrahydrofuran 101.86
    n-hexyl acetate 23.7
    isooctane 0.15
    2-(2-butoxyethoxy)ethanol 62.07
    sec-butyl acetate 27.43
    tert-butyl acetate 32.96
    decalin 0.4
    glycerin 34.69
    diglyme 112.06
    acrylic acid 59.04
    isopropyl myristate 11.72
    n-butyric acid 63.2
    acetyl acetate 50.87
    di(2-ethylhexyl) phthalate 21.09
    ethyl propionate 52.72
    nitromethane 313.82
    1,2-diethoxyethane 41.49
    benzonitrile 51.36
    trioctyl phosphate 12.23
    1-bromopropane 29.66
    gamma-valerolactone 306.3
    n-decanol 5.92
    triethyl phosphate 22.65
    4-methyl-2-pentanol 9.05
    propionitrile 61.88
    vinylene carbonate 94.58
    1,1,2-trichlorotrifluoroethane 152.17
    DMS 41.32
    cumene 4.25
    2-octanol 5.76
    2-hexanone 75.41
    octyl acetate 17.37
    limonene 6.36
    1,2-dimethoxyethane 182.48
    ethyl orthosilicate 18.26
    tributyl phosphate 16.98
    diacetone alcohol 67.64
    N,N-dimethylaniline 21.92
    acrylonitrile 93.86
    aniline 32.97
    1,3-propanediol 44.28
    bromobenzene 15.53
    dibromomethane 68.39
    1,1,2,2-tetrachloroethane 103.06
    2-methyl-cyclohexyl acetate 27.89
    tetrabutyl urea 34.87
    diisobutyl methanol 5.14
    2-phenylethanol 34.53
    styrene 8.86
    dioctyl adipate 27.37
    dimethyl sulfate 106.58
    ethyl butyrate 37.02
    methyl lactate 67.18
    butyl lactate 31.2
    diethyl carbonate 28.65
    propanediol butyl ether 33.23
    triethyl orthoformate 24.91
    p-tert-butyltoluene 3.84
    methyl 4-tert-butylbenzoate 38.71
    morpholine 138.2
    tert-butylamine 9.33
    n-dodecanol 4.67
    dimethoxymethane 169.48
    ethylene carbonate 78.83
    cyrene 96.77
    2-ethoxyethyl acetate 49.49
    2-ethylhexyl acetate 19.87
    1,2,4-trichlorobenzene 30.47
    4-methylpyridine 96.25
    dibutyl ether 9.44
    2,6-dimethyl-4-heptanol 5.14
    DEF 126.24
    dimethyl isosorbide 101.35
    tetrachloroethylene 51.76
    eugenol 48.37
    triacetin 44.32
    span 80 38.17
    1,4-butanediol 22.5
    1,1-dichloroethane 57.63
    2-methyl-1-pentanol 28.32
    methyl formate 135.94
    2-methyl-1-butanol 30.96
    n-decane 0.38
    butyronitrile 52.36
    3,7-dimethyl-1-octanol 7.55
    1-chlorooctane 2.65
    1-chlorotetradecane 1.53
    n-nonane 0.3
    undecane 0.32
    tert-butylcyclohexane 0.31
    cyclooctane 0.15
    cyclopentanol 45.13
    tetrahydropyran 61.02
    tert-amyl methyl ether 20.72
    2,5,8-trioxanonane 96.58
    1-hexene 3.39
    2-isopropoxyethanol 58.21
    2,2,2-trifluoroethanol 56.55
    methyl butyrate 79.06

    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