Aclonifen

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  • Identifiers

    CAS number
    74070-46-5

    Molecular formula
    C12H9ClN2O3

    SMILES
    C1=CC=C(C=C1)OC2=C(C(=C(C=C2)[N+](=O)[O-])N)Cl

    Safety labels

    Irritant
    Irritant

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Odorless 41.74%
    Sweet 40.85%
    Fruity 35.57%
    Grape 33.56%
    Floral 32.03%
    Powdery 29.75%
    Phenolic 28.44%
    Musk 26.68%
    Neroli 25.5%
    Vanilla 24.69%

     

    Flavor
    Bitter 83.94%
    Odorless 41.14%
    Mild 26.22%
    Bland 22.13%
    Sweet-like 21.03%
    Nitrile 21.02%
    Very strong 20.19%
    Orange flower 20.11%
    Indole 19.92%
    Orange blossom 19.39%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.8

    pKa est.
    7.06 (neutral)

    Molecular weight
    264.66 g/mol

    Flash point

    • 201.1 ˚C est.

  • Synonyms

    • Aclonifen
    • 74070-46-5
    • 2-Chloro-6-nitro-3-phenoxyaniline
    • Bandur
    • Challenge
    • 2-Chloro-6-nitro-3-phenoxybenzenamine
    • CME 127
    • DTXSID7058175
    • 1762RDA835
    • CHEBI:137374
    • CME-127
    • RefChem:109279
    • DTXCID3031943
    • 277-704-1
    • Benzenamine, 2-chloro-6-nitro-3-phenoxy-
    • MFCD00143542
    • Aclonifen 10 microg/mL in Acetonitrile
    • Aclonifen 100 microg/mL in Acetonitrile
    • Aclonifene
    • A1L38
    • Aclonifen [BSI:ISO]
    • 2-chloro-6-nitro-3-phenoxy-aniline
    • EINECS 277-704-1
    • UNII-1762RDA835
    • 2-Chloro-3-phenoxy-6-nitroaniline
    • ACLONIFEN [ISO]
    • ACLONIFEN [MI]
    • SCHEMBL55487
    • CHEMBL1485557
    • SCHEMBL29470834
    • MSK22229
    • 2-Chloro-3-phenoxy-6-nitro-aniline
    • AKOS015899766
    • NCGC00166167-01
    • AS-83168
    • SY465112
    • A3211
    • CS-0455429
    • NS00007170
    • Aclonifen, PESTANAL(R), analytical standard
    • E78983
    • 070A465
    • Q341945
    • 74070-46-5

  • Applications

    Aclonifen (CAS 74070-46-5) is primarily used as an active ingredient in crop-protection products to control weeds in agricultural crops; it is formulated into common pesticide formulations such as emulsifiable concentrates (EC), water-dispersible granules (WG), and suspension concentrate (SC) for foliar applications; it can be applied by foliar spraying or seed treatment as part of integrated weed management; formulation and application practices typically involve tank-mix assessments with compatible partners and adherence to label instructions; in the chemical industry, aclonifen may be used as an intermediate in the synthesis of related herbicides, subject to regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 25.68
    methanol 22.69
    isopropanol 17.96
    water 0.01
    ethyl acetate 263.35
    n-propanol 29.37
    acetone 321.84
    n-butanol 26.08
    acetonitrile 131.33
    DMF 214.76
    toluene 57.35
    isobutanol 16.17
    1,4-dioxane 243.51
    methyl acetate 283.91
    THF 655.63
    2-butanone 345.93
    n-pentanol 30.01
    sec-butanol 34.15
    n-hexane 0.35
    ethylene glycol 7.15
    NMP 194.15
    cyclohexane 1.05
    DMSO 258.11
    n-butyl acetate 114.18
    n-octanol 7.17
    chloroform 217.16
    n-propyl acetate 132.38
    acetic acid 92.26
    dichloromethane 279.29
    cyclohexanone 259.38
    propylene glycol 17.23
    isopropyl acetate 111.34
    DMAc 381.53
    2-ethoxyethanol 120.2
    isopentanol 26.02
    n-heptane 1.0
    ethyl formate 110.18
    1,2-dichloroethane 182.18
    n-hexanol 25.15
    2-methoxyethanol 174.44
    isobutyl acetate 52.44
    tetrachloromethane 6.36
    n-pentyl acetate 48.07
    transcutol 611.48
    n-heptanol 12.12
    ethylbenzene 20.33
    MIBK 77.93
    2-propoxyethanol 106.11
    tert-butanol 34.97
    MTBE 66.04
    2-butoxyethanol 53.51
    propionic acid 65.4
    o-xylene 24.77
    formic acid 30.09
    diethyl ether 70.37
    m-xylene 22.63
    p-xylene 26.63
    chlorobenzene 59.35
    dimethyl carbonate 119.24
    n-octane 0.37
    formamide 122.41
    cyclopentanone 378.24
    2-pentanone 182.24
    anisole 100.6
    cyclopentyl methyl ether 109.4
    gamma-butyrolactone 436.0
    1-methoxy-2-propanol 132.09
    pyridine 239.55
    3-pentanone 163.28
    furfural 325.82
    n-dodecane 0.68
    diethylene glycol 93.35
    diisopropyl ether 13.55
    tert-amyl alcohol 44.76
    acetylacetone 351.84
    n-hexadecane 0.82
    acetophenone 115.36
    methyl propionate 201.15
    isopentyl acetate 79.58
    trichloroethylene 470.2
    n-nonanol 9.12
    cyclohexanol 34.91
    benzyl alcohol 71.29
    2-ethylhexanol 19.76
    isooctanol 11.61
    dipropyl ether 36.99
    1,2-dichlorobenzene 49.35
    ethyl lactate 64.52
    propylene carbonate 182.83
    n-methylformamide 120.24
    2-pentanol 20.65
    n-pentane 0.39
    1-propoxy-2-propanol 82.59
    1-methoxy-2-propyl acetate 161.93
    2-(2-methoxypropoxy) propanol 100.21
    mesitylene 10.86
    ε-caprolactone 223.78
    p-cymene 14.51
    epichlorohydrin 510.33
    1,1,1-trichloroethane 101.5
    2-aminoethanol 19.74
    morpholine-4-carbaldehyde 270.19
    sulfolane 360.84
    2,2,4-trimethylpentane 0.93
    2-methyltetrahydrofuran 247.72
    n-hexyl acetate 48.87
    isooctane 0.62
    2-(2-butoxyethoxy)ethanol 123.76
    sec-butyl acetate 78.87
    tert-butyl acetate 112.02
    decalin 1.33
    glycerin 36.79
    diglyme 288.93
    acrylic acid 74.11
    isopropyl myristate 24.12
    n-butyric acid 82.62
    acetyl acetate 180.8
    di(2-ethylhexyl) phthalate 27.03
    ethyl propionate 115.94
    nitromethane 422.74
    1,2-diethoxyethane 163.58
    benzonitrile 92.01
    trioctyl phosphate 17.09
    1-bromopropane 47.36
    gamma-valerolactone 428.72
    n-decanol 8.11
    triethyl phosphate 44.66
    4-methyl-2-pentanol 14.31
    propionitrile 80.06
    vinylene carbonate 157.73
    1,1,2-trichlorotrifluoroethane 239.85
    DMS 103.88
    cumene 11.05
    2-octanol 7.93
    2-hexanone 123.35
    octyl acetate 29.62
    limonene 22.02
    1,2-dimethoxyethane 278.18
    ethyl orthosilicate 37.38
    tributyl phosphate 26.95
    diacetone alcohol 128.34
    N,N-dimethylaniline 43.82
    acrylonitrile 142.02
    aniline 83.7
    1,3-propanediol 40.74
    bromobenzene 56.22
    dibromomethane 108.3
    1,1,2,2-tetrachloroethane 276.82
    2-methyl-cyclohexyl acetate 60.75
    tetrabutyl urea 37.74
    diisobutyl methanol 14.66
    2-phenylethanol 59.35
    styrene 31.81
    dioctyl adipate 51.0
    dimethyl sulfate 173.99
    ethyl butyrate 95.36
    methyl lactate 99.51
    butyl lactate 48.93
    diethyl carbonate 68.85
    propanediol butyl ether 49.84
    triethyl orthoformate 61.29
    p-tert-butyltoluene 13.05
    methyl 4-tert-butylbenzoate 65.6
    morpholine 255.65
    tert-butylamine 13.54
    n-dodecanol 7.01
    dimethoxymethane 227.84
    ethylene carbonate 117.78
    cyrene 104.22
    2-ethoxyethyl acetate 123.22
    2-ethylhexyl acetate 60.92
    1,2,4-trichlorobenzene 74.13
    4-methylpyridine 177.55
    dibutyl ether 24.83
    2,6-dimethyl-4-heptanol 14.66
    DEF 180.74
    dimethyl isosorbide 177.48
    tetrachloroethylene 120.45
    eugenol 69.99
    triacetin 104.22
    span 80 59.67
    1,4-butanediol 16.89
    1,1-dichloroethane 132.82
    2-methyl-1-pentanol 33.87
    methyl formate 135.29
    2-methyl-1-butanol 26.7
    n-decane 0.81
    butyronitrile 66.2
    3,7-dimethyl-1-octanol 13.85
    1-chlorooctane 6.07
    1-chlorotetradecane 3.67
    n-nonane 0.57
    undecane 0.74
    tert-butylcyclohexane 1.19
    cyclooctane 0.34
    cyclopentanol 44.87
    tetrahydropyran 166.53
    tert-amyl methyl ether 55.91
    2,5,8-trioxanonane 198.69
    1-hexene 5.29
    2-isopropoxyethanol 77.24
    2,2,2-trifluoroethanol 45.58
    methyl butyrate 146.32

    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