Benfluralin

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  • Identifiers

    CAS number
    1861-40-1

    Molecular formula
    C13H16F3N3O4

    SMILES
    CCCCN(CC)C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

    Safety labels

    Irritant
    Irritant

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Odorless 49.6%
    Sweet 34.59%
    Cooling 26.03%
    Milky 23.68%
    Musk 23.63%
    Animal 22.52%
    Grape 22.44%
    Savory 21.44%
    Fatty 21.43%
    Dry 21.41%

     

    Flavor
    Bitter 62.54%
    Odorless 46.7%
    Bland 29.52%
    Mild 25.67%
    Sweet-like 20.23%
    Nitrile 19.47%
    Cedarleaf 19.34%
    Oriental 18.4%
    Heather 18.35%
    Broom 18.26%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.3

    pKa est.
    8.39 (weak base)

    Molecular weight
    335.28 g/mol

    Melting point expt.

    • 65-66.5 °C
    • MP: 64-66 °C /TECHNICAL PRODUCT/

    Boiling point

    • 148-149 °C at 7 mm Hg; 121-122 °C at 0.5 mm Hg

    Flash point

    • 138.14 ˚C est.

    Solubility expt.

    • G/100 ML AT 25 °C: >50 IN ACETONE; >25 IN ACETONITRILE; >50 IN CHLOROFORM; 45 IN DIMETHYLFORMAMIDE; 60 IN DIOXANE; 4 IN METHANOL; 58 IN METHYL ETHYL KETONE; 45 IN XYLENE
    • 2.4 G/100 ML ETHANOL AT 25 °C
    • In water, 0.1 mg/L at 25 °C

  • Synonyms

    • benfluralin
    • 1861-40-1
    • Bethrodine
    • Balan
    • BENEFIN
    • Benfluraline
    • Balfin
    • Banafine
    • Benephin
    • Carpidor
    • Flubalex
    • Benalan
    • Benefex
    • Binnell
    • Bonalan
    • Emblem
    • Quilan
    • N-butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline
    • Blulan
    • EL-110
    • N-Butyl-2,6-dinitro-N-ethyl-4-trifluoromethylaniline
    • Caswell No. 130
    • Benefin [WITHDRAWN]
    • Benfluralin [BSI:ISO]
    • N-Butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)benzenamine
    • Benfluralin [ISO]
    • Benfluraline [ISO-French]
    • HSDB 407
    • N-Butyl-N-ethyl-2,6-dinitro-4-trifluoromethylaniline
    • EINECS 217-465-2
    • EPA Pesticide Chemical Code 084301
    • UNII-28224BUY6R
    • BRN 2821329
    • CCRIS 9242
    • L 54521
    • DTXSID3023899
    • BENFLURALIN [MI]
    • BENFLURALIN [HSDB]
    • Benzenamine, N-butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)-
    • alpha,alpha,alpha-Trifluoro-2,6-dinitro-N,N-ethylbutyl-p-toluidine
    • N-Butyl-N-ethyl-alpha,alpha,alpha-trifluoro-2,6-dinitro-p-toluidine
    • DTXCID203899
    • N-Butyl N-ethyl-2,6-dinitro-4-(trifluoromethyl)benzeneamine
    • CHEBI:132878
    • 28224BUY6R
    • p-Toluidine, N-butyl-N-ethyl-.alpha.,.alpha.,.alpha.-trifluoro-2,6-dinitro-
    • Benefin (WITHDRAWN)
    • p-Toluidine, N-butyl-N-ethyl-alpha,alpha,alpha-trifluoro-2,6-dinitro-
    • Benfluraline (ISO-French)
    • .alpha.,.alpha.,.alpha.-Trifluoro-2,6-dinitro-N,N-ethylbutyl-p-toluidine
    • CAS-1861-40-1
    • Benfluralin (Standard)
    • Spectrum_001829
    • SpecPlus_000430
    • Spectrum2_001883
    • Spectrum3_000825
    • Spectrum4_000665
    • Spectrum5_001962
    • SCHEMBL55008
    • BSPBio_002349
    • KBioGR_001069
    • KBioSS_002334
    • SPECTRUM330033
    • DivK1c_006526
    • SPBio_001786
    • CHEMBL1256668
    • HY-B2045R
    • KBio1_001470
    • KBio2_002331
    • KBio2_004899
    • KBio2_007467
    • KBio3_001849
    • EL110
    • HY-B2045
    • Tox21_202270
    • Tox21_300774
    • CCG-39421
    • AKOS015890700
    • USEPA/OPP Pesticide Code: 84301
    • NCGC00094527-01
    • NCGC00094527-02
    • NCGC00094527-03
    • NCGC00094527-04
    • NCGC00094527-05
    • NCGC00094527-06
    • NCGC00094527-07
    • NCGC00254678-01
    • NCGC00259819-01
    • AS-56321
    • DB-044582
    • CS-0014140
    • NButyl2,6dinitroNethyl4trifluoromethylaniline
    • NButylNethyl2,6dinitro4trifluoromethylaniline
    • NS00005161
    • A12179
    • Benfluralin, PESTANAL(R), analytical standard
    • C21273
    • Q421520
    • NButylNethyl2,6dinitro4(trifluoromethyl)benzenamine
    • BRD-K33903083-001-03-5
    • NButyl Nethyl2,6dinitro4(trifluoromethyl)benzeneamine
    • N-butyl-2,6-dinitro-N-ethyl-4-(trifluoromethyl)aniline
    • alpha,alpha,alphaTrifluoro2,6dinitroN,Nethylbutylptoluidine
    • N-n-butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline
    • NButylNethylalpha,alpha,alphatrifluoro2,6dinitroptoluidine
    • N-BUTYL-N-ETHYL-2,6-DINITRO-4-(TRIFLUOROMETHYL) BENZENAMINE
    • N-Butyl-N-ethyl-.alpha.,.alpha.,.alpha.-trifluoro-2,6-dinitro-p-toluidine
    • N-butyl-N-ethyl-alpha,alpha,alpha-tri-fluoro-2,6-dinitro-p-toluidine
    • 217-465-2

  • Applications

    Benfluralin (CAS 1861-40-1) is a soil-applied, pre-emergence herbicide used to control annual grasses and some broadleaf weeds across several cropping systems. In agriculture, it is applied before weed emergence to protect major row crops such as cereals (e.g., wheat and barley), corn, soybean and cotton, contributing to early-season weed suppression. It is also employed in vegetable and fruit production to reduce weed pressure in field blocks and nursery beds. In turf and landscape management, benfluralin is used as a pre-emergent to limit weed establishment in lawns and athletic fields. In ornamental horticulture and nursery production, it supports weed control in beds and container-grown crops as part of integrated weed-management programs. The use of benfluralin is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 273.66
    methanol 461.44
    isopropanol 170.8
    water 0.51
    ethyl acetate 673.28
    n-propanol 180.3
    acetone 1207.39
    n-butanol 141.36
    acetonitrile 832.47
    DMF 4218.53
    toluene 273.37
    isobutanol 120.13
    1,4-dioxane 656.33
    methyl acetate 940.64
    THF 1352.74
    2-butanone 746.01
    n-pentanol 103.29
    sec-butanol 141.75
    n-hexane 4.18
    ethylene glycol 161.29
    NMP 3469.73
    cyclohexane 5.93
    DMSO 4196.12
    n-butyl acetate 280.92
    n-octanol 31.59
    chloroform 607.35
    n-propyl acetate 357.76
    acetic acid 957.33
    dichloromethane 933.48
    cyclohexanone 670.81
    propylene glycol 162.57
    isopropyl acetate 362.55
    DMAc 2624.21
    2-ethoxyethanol 432.54
    isopentanol 119.49
    n-heptane 4.27
    ethyl formate 403.92
    1,2-dichloroethane 713.12
    n-hexanol 96.43
    2-methoxyethanol 875.89
    isobutyl acetate 141.57
    tetrachloromethane 63.44
    n-pentyl acetate 186.15
    transcutol 962.19
    n-heptanol 45.92
    ethylbenzene 105.47
    MIBK 258.63
    2-propoxyethanol 420.95
    tert-butanol 186.8
    MTBE 197.7
    2-butoxyethanol 200.71
    propionic acid 431.16
    o-xylene 163.05
    formic acid 679.76
    diethyl ether 234.19
    m-xylene 164.09
    p-xylene 120.65
    chlorobenzene 326.46
    dimethyl carbonate 735.11
    n-octane 1.68
    formamide 1472.09
    cyclopentanone 1393.77
    2-pentanone 546.53
    anisole 453.3
    cyclopentyl methyl ether 464.46
    gamma-butyrolactone 1899.65
    1-methoxy-2-propanol 611.6
    pyridine 1057.69
    3-pentanone 470.65
    furfural 1879.02
    n-dodecane 1.58
    diethylene glycol 407.86
    diisopropyl ether 57.21
    tert-amyl alcohol 161.73
    acetylacetone 1151.08
    n-hexadecane 1.91
    acetophenone 572.6
    methyl propionate 821.06
    isopentyl acetate 209.1
    trichloroethylene 1748.23
    n-nonanol 34.38
    cyclohexanol 120.96
    benzyl alcohol 324.34
    2-ethylhexanol 55.85
    isooctanol 35.76
    dipropyl ether 96.9
    1,2-dichlorobenzene 348.13
    ethyl lactate 235.73
    propylene carbonate 849.42
    n-methylformamide 1527.77
    2-pentanol 96.83
    n-pentane 6.32
    1-propoxy-2-propanol 263.97
    1-methoxy-2-propyl acetate 518.43
    2-(2-methoxypropoxy) propanol 285.62
    mesitylene 71.91
    ε-caprolactone 724.1
    p-cymene 60.2
    epichlorohydrin 1943.98
    1,1,1-trichloroethane 443.85
    2-aminoethanol 227.73
    morpholine-4-carbaldehyde 2483.87
    sulfolane 2781.8
    2,2,4-trimethylpentane 4.17
    2-methyltetrahydrofuran 666.59
    n-hexyl acetate 205.13
    isooctane 2.75
    2-(2-butoxyethoxy)ethanol 327.65
    sec-butyl acetate 207.88
    tert-butyl acetate 384.19
    decalin 6.24
    glycerin 300.63
    diglyme 704.38
    acrylic acid 681.39
    isopropyl myristate 72.1
    n-butyric acid 398.06
    acetyl acetate 638.08
    di(2-ethylhexyl) phthalate 128.47
    ethyl propionate 336.83
    nitromethane 3423.95
    1,2-diethoxyethane 263.04
    benzonitrile 441.63
    trioctyl phosphate 68.46
    1-bromopropane 200.52
    gamma-valerolactone 1995.69
    n-decanol 26.52
    triethyl phosphate 129.42
    4-methyl-2-pentanol 54.81
    propionitrile 333.61
    vinylene carbonate 892.52
    1,1,2-trichlorotrifluoroethane 1264.89
    DMS 549.3
    cumene 55.68
    2-octanol 26.22
    2-hexanone 273.48
    octyl acetate 109.95
    limonene 82.85
    1,2-dimethoxyethane 697.6
    ethyl orthosilicate 100.35
    tributyl phosphate 94.42
    diacetone alcohol 470.7
    N,N-dimethylaniline 264.89
    acrylonitrile 782.95
    aniline 387.13
    1,3-propanediol 261.16
    bromobenzene 328.37
    dibromomethane 448.51
    1,1,2,2-tetrachloroethane 932.68
    2-methyl-cyclohexyl acetate 172.93
    tetrabutyl urea 135.54
    diisobutyl methanol 36.65
    2-phenylethanol 260.62
    styrene 165.16
    dioctyl adipate 165.16
    dimethyl sulfate 1655.03
    ethyl butyrate 210.28
    methyl lactate 571.97
    butyl lactate 179.13
    diethyl carbonate 166.67
    propanediol butyl ether 179.93
    triethyl orthoformate 128.35
    p-tert-butyltoluene 59.2
    methyl 4-tert-butylbenzoate 333.28
    morpholine 888.26
    tert-butylamine 75.57
    n-dodecanol 19.92
    dimethoxymethane 1397.81
    ethylene carbonate 546.58
    cyrene 456.48
    2-ethoxyethyl acetate 457.5
    2-ethylhexyl acetate 157.83
    1,2,4-trichlorobenzene 495.29
    4-methylpyridine 1086.97
    dibutyl ether 50.58
    2,6-dimethyl-4-heptanol 36.65
    DEF 958.21
    dimethyl isosorbide 627.59
    tetrachloroethylene 538.16
    eugenol 322.96
    triacetin 471.85
    span 80 210.29
    1,4-butanediol 109.63
    1,1-dichloroethane 447.78
    2-methyl-1-pentanol 89.28
    methyl formate 1304.38
    2-methyl-1-butanol 119.5
    n-decane 2.39
    butyronitrile 245.31
    3,7-dimethyl-1-octanol 42.77
    1-chlorooctane 21.52
    1-chlorotetradecane 9.64
    n-nonane 1.95
    undecane 1.91
    tert-butylcyclohexane 4.81
    cyclooctane 2.41
    cyclopentanol 215.66
    tetrahydropyran 346.51
    tert-amyl methyl ether 186.19
    2,5,8-trioxanonane 491.04
    1-hexene 30.23
    2-isopropoxyethanol 253.51
    2,2,2-trifluoroethanol 453.31
    methyl butyrate 420.84

    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