Chloroxuron

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  • Identifiers

    CAS number
    1982-47-4

    Molecular formula
    C15H15ClN2O2

    SMILES
    CN(C)C(=O)NC1=CC=C(C=C1)OC2=CC=C(C=C2)Cl

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Grape 39.9%
    Odorless 38.27%
    Savory 30.69%
    Fruity 30.59%
    Meaty 28.32%
    Animal 28.03%
    Citrus 26.92%
    Grapefruit 24.72%
    Cooked 24.69%
    Cooling 23.44%

     

    Flavor
    Bitter 54.72%
    Odorless 37.08%
    Fruity 35.54%
    Mild 30.3%
    Bland 21.18%
    Orange flower 20.88%
    Orange blossom 20.36%
    Sweet-like 19.86%
    Nitrile 19.66%
    Petitgrain 19.62%

     

    Odor impact est.
    Odorless

  • Properties

    XLogP3-AA
    3.5

    pKa est.
    8.38 (weak base)

    Molecular weight
    290.74 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    457°C

    Melting point expt.

    • 304 to 306 °F (EPA, 1998)
    • 151 °C

    Flash point

    • 202.81 ˚C est.

    Solubility expt.

    • AT 20 °C: 4 MG/L WATER; 44 G/KG ACETONE; 106 G/KG DICHLOROMETHANE; 35 G/KG METHANOL; 4 G/KG TOLUENE.
    • Soluble in dimethylformamide and chloroform. Slightly soluble in benzene and diethyl ether.
    • Solubility in acetone moderate; soluble in dimethylformamide; solubility in water 2.7 mg/l
    • Water solubility = 3.7 ppm at 25 °C
    • Organic solubility at 20 °C (ppm): Dichloromethane - 1.1X10+5; Acetone - 4.4X10+4; Methanol - 3.5X10+4; Toluene - 4.0X10+3. Water - 2.5 ppm at 22 °C

  • Synonyms

    • CHLOROXURON
    • 1982-47-4
    • Chloroxifenidim
    • Gesamoos
    • Norex
    • TENORAN
    • Chlorphencarb
    • Ciba 1983
    • Caswell No. 217B
    • 3-[4-(4-Chlorophenoxy)phenyl]-1,1-dimethylurea
    • Chloroxuron [ANSI:BSI:ISO]
    • Chloroxyfenidim
    • HSDB 980
    • Urea, N'-[4-(4-chlorophenoxy)phenyl]-N,N-dimethyl-
    • C 1983
    • UNII-QER23C88ME
    • EINECS 217-843-7
    • QER23C88ME
    • EPA Pesticide Chemical Code 025501
    • BRN 2814275
    • CHLOROXIFENIDUM
    • DTXSID7040287
    • CHLOROXURON [ISO]
    • 3-(p-(p-Chlorophenoxy)phenyl)-1,1-dimethylurea
    • CHLOROXURON [HSDB]
    • 3-(4-(4-Chlorophenoxy)phenyl)-1,1-dimethylurea
    • n'-[4-(4-chlorophenoxy)phenyl]-n,n-dimethylurea
    • 1-(4-(4-Chloro-phenoxy)phenyl)-3,3'-methyluree [French]
    • DTXCID5020287
    • CHEBI:82200
    • 3-(4-(4-Chloor-fenoxy)-fenoxy)-fenyl-1,1-dimethylureum [Dutch]
    • 3-(4-(4-Cloro-fenossil)-fenossil)-1,1-dimetil-urea [Italian]
    • C-1983
    • 1-(4-(4-Chloro-phenoxy)phenyl)-3,3'-methyluree
    • 1-(4-(4-Chloro-phenoxy)phenyl)-3,3-D'methyluree
    • 3-(4-(4-Chloor-fenoxy)-fenyl)-1,1-dimethylureum
    • 3-(4-(4-Chloro-fenossil)fenil)-1,1-dimetil-urea
    • Urea, 3-(p-(p-chlorophenoxy)phenyl)-1,1-dimethyl-
    • 3-(4-(4-Cloro-fenossil)-fenossil)-1,1-dimetil-urea
    • Urea, N'-(4-(4-chlorophenoxy)phenyl)-N,N-dimethyl-
    • 3-(4-(4-Chlor-phenoxy)-phenyl)-1,1-dimethylharnstoff
    • 3-(4-(4-Chloor-fenoxy)-fenoxy)-fenyl-1,1-dimethylureum
    • Chloroxuron 10 microg/mL in Acetonitrile
    • N'-4-(p-Chlorophenoxy)phenyl-N,N-dimethylurea
    • Urea, 3-[p-(p-chlorophenoxy)phenyl]-1,1-dimethyl-
    • Chloroxuron (ANSI:BSI:ISO)
    • N'-(4-(4-CHLOROPHENOXY)PHENYL)-N,N-DIMETHYLUREA
    • 3-[p-(p-chlorophenoxy)phenyl]-1,1-dimethylurea
    • C-1933
    • N'-4-(4-Chlorophenoxy)phenyl-N,N-dimethylurea
    • 1-(4-(4-Chloro-phenoxy)phenyl)-3,3-d'methyluree [French]
    • 3-(4-(4-Chloor-fenoxy)-fenyl)-1,1-dimethylureum [Dutch]
    • 3-(4-(4-Chloro-fenossil)fenil)-1,1-dimetil-urea [Italian]
    • 3-(4-(4-Chlor-phenoxy)-phenyl)-1,1-dimethylharnstoff [German]
    • N'-(4-Chlorophenoxy)phenyl-N,N-dimethylurea
    • SCHEMBL132843
    • CHEMBL1568699
    • Tox21_301902
    • AKOS015903200
    • N'4(4Chlorophenoxy)phenylN,Ndimethylurea
    • NCGC00166179-01
    • NCGC00255447-01
    • 1(4(4Chlorophenoxy)phenyl)3,3'methyluree
    • 3(4(4Chloorfenoxy)fenyl)1,1dimethylureum
    • 3(4(4Chlorofenossil)fenil)1,1dimetilurea
    • 3(p(pChlorophenoxy)phenyl)1,1dimethylurea
    • CAS-1982-47-4
    • 1(4(4Chlorophenoxy)phenyl)3,3d'methyluree
    • 3(4(4Chlorophenoxy)phenyl)1,1dimethylurea
    • 3(4(4Clorofenossil)fenossil)1,1dimetilurea
    • C1933
    • NS00010440
    • Urea, 3(p(pchlorophenoxy)phenyl)1,1dimethyl
    • 3-(4-(4-cloro-fenossil)-1,1-dimetil-urea
    • Urea, N'(4(4chlorophenoxy)phenyl)N,Ndimethyl
    • 3(4(4Chloorfenoxy)fenoxy)fenyl1,1dimethylureum
    • 3(4(4Chlorphenoxy)phenyl)1,1dimethylharnstoff
    • Chloroxuron, PESTANAL(R), analytical standard
    • 3-(4-(4-Chlorophenoxy)phenyl-1,1-dimethylurea
    • 1-[4-(4-chlorophenoxy)phenyl]-3,3-dimethylurea
    • Q2964148
    • 3-(4-(4-cloro-fenossil)-1,1-dimetil-urea (Italian)
    • 3-(4-(4-chloor-fenoxy)-fenoxy)-fenyl)-1,1-dimethylureum
    • 3-(4-(4-chloor-fenoxy)-fenoxy)-fenyl)-1,1-dimethylureum (Dutch)
    • 217-843-7

  • Applications

    Chloroxuron, CAS 1982-47-4, is a chlorinated phenylurea herbicide primarily used in agriculture for weed control; typical applications include crop protection in cereals and fruit crops, weed management in turf and landscape areas, and it is evaluated for use in lawn and landscape maintenance; it may also be viewed as an intermediate or building block for synthesizing other phenylurea herbicides in the agricultural chemical industry; usage is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 84.02
    methanol 73.3
    isopropanol 53.79
    water 0.25
    ethyl acetate 132.93
    n-propanol 62.51
    acetone 151.75
    n-butanol 49.15
    acetonitrile 124.5
    DMF 119.19
    toluene 23.71
    isobutanol 36.38
    1,4-dioxane 186.88
    methyl acetate 162.81
    THF 364.44
    2-butanone 205.14
    n-pentanol 56.47
    sec-butanol 69.7
    n-hexane 0.53
    ethylene glycol 12.72
    NMP 40.66
    cyclohexane 1.11
    DMSO 217.82
    n-butyl acetate 56.84
    n-octanol 23.64
    chloroform 373.55
    n-propyl acetate 83.38
    acetic acid 129.04
    dichloromethane 321.63
    cyclohexanone 121.81
    propylene glycol 31.12
    isopropyl acetate 50.04
    DMAc 386.9
    2-ethoxyethanol 177.44
    isopentanol 40.49
    n-heptane 0.97
    ethyl formate 115.45
    1,2-dichloroethane 115.39
    n-hexanol 36.99
    2-methoxyethanol 173.74
    isobutyl acetate 47.14
    tetrachloromethane 11.21
    n-pentyl acetate 36.88
    transcutol 202.33
    n-heptanol 25.85
    ethylbenzene 21.72
    MIBK 43.89
    2-propoxyethanol 108.21
    tert-butanol 60.13
    MTBE 56.97
    2-butoxyethanol 71.02
    propionic acid 60.63
    o-xylene 17.87
    formic acid 56.41
    diethyl ether 45.21
    m-xylene 12.75
    p-xylene 32.58
    chlorobenzene 42.64
    dimethyl carbonate 50.01
    n-octane 0.89
    formamide 105.24
    cyclopentanone 118.57
    2-pentanone 89.62
    anisole 85.35
    cyclopentyl methyl ether 42.57
    gamma-butyrolactone 133.27
    1-methoxy-2-propanol 108.28
    pyridine 169.35
    3-pentanone 67.14
    furfural 165.71
    n-dodecane 1.39
    diethylene glycol 78.17
    diisopropyl ether 7.87
    tert-amyl alcohol 65.8
    acetylacetone 110.91
    n-hexadecane 1.54
    acetophenone 87.02
    methyl propionate 87.25
    isopentyl acetate 47.31
    trichloroethylene 316.66
    n-nonanol 24.66
    cyclohexanol 38.17
    benzyl alcohol 83.46
    2-ethylhexanol 22.37
    isooctanol 22.01
    dipropyl ether 25.14
    1,2-dichlorobenzene 42.2
    ethyl lactate 46.36
    propylene carbonate 82.64
    n-methylformamide 78.0
    2-pentanol 28.58
    n-pentane 0.32
    1-propoxy-2-propanol 65.08
    1-methoxy-2-propyl acetate 66.13
    2-(2-methoxypropoxy) propanol 70.14
    mesitylene 6.65
    ε-caprolactone 98.3
    p-cymene 11.73
    epichlorohydrin 231.02
    1,1,1-trichloroethane 80.96
    2-aminoethanol 37.12
    morpholine-4-carbaldehyde 142.86
    sulfolane 80.4
    2,2,4-trimethylpentane 1.2
    2-methyltetrahydrofuran 120.51
    n-hexyl acetate 44.27
    isooctane 0.54
    2-(2-butoxyethoxy)ethanol 89.19
    sec-butyl acetate 50.14
    tert-butyl acetate 45.15
    decalin 1.67
    glycerin 44.14
    diglyme 181.26
    acrylic acid 55.41
    isopropyl myristate 20.99
    n-butyric acid 83.55
    acetyl acetate 69.54
    di(2-ethylhexyl) phthalate 25.55
    ethyl propionate 63.96
    nitromethane 264.06
    1,2-diethoxyethane 79.14
    benzonitrile 77.81
    trioctyl phosphate 16.8
    1-bromopropane 47.65
    gamma-valerolactone 201.43
    n-decanol 19.22
    triethyl phosphate 31.59
    4-methyl-2-pentanol 17.64
    propionitrile 81.51
    vinylene carbonate 90.39
    1,1,2-trichlorotrifluoroethane 152.55
    DMS 46.55
    cumene 14.0
    2-octanol 18.69
    2-hexanone 89.68
    octyl acetate 27.26
    limonene 13.51
    1,2-dimethoxyethane 267.31
    ethyl orthosilicate 29.53
    tributyl phosphate 21.97
    diacetone alcohol 67.78
    N,N-dimethylaniline 48.84
    acrylonitrile 110.43
    aniline 50.89
    1,3-propanediol 66.43
    bromobenzene 39.63
    dibromomethane 144.9
    1,1,2,2-tetrachloroethane 212.81
    2-methyl-cyclohexyl acetate 41.14
    tetrabutyl urea 30.66
    diisobutyl methanol 12.87
    2-phenylethanol 55.95
    styrene 29.59
    dioctyl adipate 37.22
    dimethyl sulfate 63.94
    ethyl butyrate 54.56
    methyl lactate 45.26
    butyl lactate 38.67
    diethyl carbonate 43.49
    propanediol butyl ether 58.39
    triethyl orthoformate 38.81
    p-tert-butyltoluene 10.35
    methyl 4-tert-butylbenzoate 52.11
    morpholine 212.24
    tert-butylamine 22.93
    n-dodecanol 14.82
    dimethoxymethane 138.19
    ethylene carbonate 71.85
    cyrene 73.66
    2-ethoxyethyl acetate 65.53
    2-ethylhexyl acetate 36.22
    1,2,4-trichlorobenzene 51.43
    4-methylpyridine 120.3
    dibutyl ether 29.76
    2,6-dimethyl-4-heptanol 12.87
    DEF 99.79
    dimethyl isosorbide 98.55
    tetrachloroethylene 102.22
    eugenol 62.78
    triacetin 60.88
    span 80 49.76
    1,4-butanediol 39.72
    1,1-dichloroethane 117.22
    2-methyl-1-pentanol 51.05
    methyl formate 75.94
    2-methyl-1-butanol 41.65
    n-decane 2.11
    butyronitrile 85.32
    3,7-dimethyl-1-octanol 23.77
    1-chlorooctane 12.86
    1-chlorotetradecane 5.48
    n-nonane 1.6
    undecane 1.65
    tert-butylcyclohexane 1.61
    cyclooctane 0.38
    cyclopentanol 39.36
    tetrahydropyran 124.8
    tert-amyl methyl ether 46.02
    2,5,8-trioxanonane 123.41
    1-hexene 7.98
    2-isopropoxyethanol 104.23
    2,2,2-trifluoroethanol 51.48
    methyl butyrate 97.59

    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