Metobromuron

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  • Identifiers

    CAS number
    3060-89-7

    Molecular formula
    C9H11BrN2O2

    SMILES
    CN(C(=O)NC1=CC=C(C=C1)Br)OC

    Safety labels

    Irritant
    Irritant

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Grape 38.94%
    Odorless 37.01%
    Fruity 31.34%
    Meaty 30.91%
    Savory 29.71%
    Citrus 27.44%
    Cooked 24.95%
    Grapefruit 24.85%
    Cheesy 23.53%
    Milky 22.92%

     

    Flavor
    Odorless 39.79%
    Fruity 37.7%
    Bitter 31.51%
    Mild 31.28%
    Roasted 23.76%
    Cooked 23.46%
    Orange flower 20.5%
    Very mild 19.83%
    Bland 19.74%
    Taco 19.67%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.4

    pKa est.
    6.48 (neutral)

    Molecular weight
    259.1 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    406°C

    Melting point expt.

    • 95-96 °C

    Flash point

    • 133.9 ˚C est.

    Solubility expt.

    • IN WATER: 320 PPM AT 20 °C; SOL IN METHANOL, ETHANOL, ACETONE, CHLOROFORM
    • At 20 °C, in water 0.88 mg/100 g; in acetone more than 100 g/100 g; in ethanol 18.2 g/100 g; in chloroform 62.5 g/100 g

  • Synonyms

    • METOBROMURON
    • 3060-89-7
    • Metbromuron
    • Monobromuron
    • Pattonex
    • 3-(4-Bromophenyl)-1-methoxy-1-methylurea
    • N'-(4-Bromophenyl)-N-methoxy-N-methylurea
    • 3-(p-Bromophenyl)-1-methoxy-1-methylurea
    • DTXSID6042157
    • Urea, 3-(p-bromophenyl)-1-methoxy-1-methyl-
    • 3-(p-Bromophenyl)-1-methyl-1-methoxyurea
    • 4251089P3L
    • DTXCID4022157
    • N-(4-Bromophenyl)-N'-methyl-N'-methoxy-harnstoff
    • RefChem:158371
    • 221-301-5
    • Patoran
    • Metobromurone
    • Urea, N'-(4-bromophenyl)-N-methoxy-N-methyl-
    • CIBA-3126
    • 3-(4-Bromphenyl)-1-methoxyharnstoff
    • 1-(4-bromophenyl)-3-methoxy-3-methylurea
    • Metobromuron 10 microg/mL in Acetonitrile
    • Metobromuron 100 microg/mL in Acetonitrile
    • Caswell No. 579A
    • Metobromuron [ISO]
    • CCRIS 6765
    • Metobromuron [ANSI:BSI:ISO]
    • HSDB 1741
    • EINECS 221-301-5
    • C-3126
    • EPA Pesticide Chemical Code 035901
    • BRN 2103964
    • Patoran FL
    • 3-(4-Bromphenyl)-1-methoxyharnstoff [German]
    • UNII-4251089P3L
    • N-(4-Bromophenyl)-N'-methyl-N'-methoxy-harnstoff [German]
    • METOBROMURON [MI]
    • METOBROMURON [HSDB]
    • SCHEMBL53871
    • CHEMBL1356637
    • CHEBI:81964
    • Metobromuron, analytical standard
    • MSK22319
    • Tox21_301964
    • MFCD00017799
    • AKOS001609255
    • NCGC00166156-01
    • NCGC00255893-01
    • CAS-3060-89-7
    • DB-047812
    • HY-154817
    • 3-(4-bromophenyl)-1-methoxy-1-methyl-urea
    • CS-0783319
    • N-(p-Bromophenyl)-N'-methyl-N'-methoxyurea
    • NS00010464
    • C18793
    • Metobromuron, PESTANAL(R), analytical standard
    • 060M897
    • Q18213352
    • Z1269144452
    • 3060-89-7

  • Applications

    Metobromuron (CAS 3060-89-7) is a phenylurea herbicide used for selective weed control in cereal crops. It is typically applied as a pre-emergence or early post-emergence treatment in field crops to target broadleaf weeds and certain grasses. The mode of action is inhibition of photosystem II electron transport, and it is commonly formulated in premix herbicide products or tank-mixed with other herbicides. It is deployed within agricultural weed-management programs, with use governed by local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 49.46
    methanol 55.55
    isopropanol 41.78
    water 2.02
    ethyl acetate 63.36
    n-propanol 39.32
    acetone 176.77
    n-butanol 33.85
    acetonitrile 63.05
    DMF 516.01
    toluene 24.53
    isobutanol 27.86
    1,4-dioxane 215.52
    methyl acetate 98.04
    THF 228.29
    2-butanone 121.76
    n-pentanol 31.76
    sec-butanol 39.42
    n-hexane 0.45
    ethylene glycol 23.37
    NMP 268.74
    cyclohexane 1.67
    DMSO 394.64
    n-butyl acetate 30.24
    n-octanol 15.75
    chloroform 120.04
    n-propyl acetate 42.06
    acetic acid 72.75
    dichloromethane 126.99
    cyclohexanone 136.54
    propylene glycol 28.75
    isopropyl acetate 31.01
    DMAc 581.52
    2-ethoxyethanol 121.78
    isopentanol 28.43
    n-heptane 1.17
    ethyl formate 75.88
    1,2-dichloroethane 75.93
    n-hexanol 23.9
    2-methoxyethanol 190.94
    isobutyl acetate 25.61
    tetrachloromethane 7.81
    n-pentyl acetate 23.37
    transcutol 153.25
    n-heptanol 17.06
    ethylbenzene 14.6
    MIBK 36.03
    2-propoxyethanol 75.02
    tert-butanol 50.16
    MTBE 31.28
    2-butoxyethanol 47.39
    propionic acid 43.65
    o-xylene 21.09
    formic acid 66.66
    diethyl ether 27.58
    m-xylene 14.89
    p-xylene 25.29
    chlorobenzene 36.32
    dimethyl carbonate 55.0
    n-octane 0.87
    formamide 142.67
    cyclopentanone 168.18
    2-pentanone 67.66
    anisole 63.22
    cyclopentyl methyl ether 54.32
    gamma-butyrolactone 169.64
    1-methoxy-2-propanol 109.16
    pyridine 145.95
    3-pentanone 58.86
    furfural 200.92
    n-dodecane 1.12
    diethylene glycol 89.17
    diisopropyl ether 5.97
    tert-amyl alcohol 41.94
    acetylacetone 100.02
    n-hexadecane 1.3
    acetophenone 79.04
    methyl propionate 72.75
    isopentyl acetate 29.88
    trichloroethylene 165.02
    n-nonanol 16.4
    cyclohexanol 40.97
    benzyl alcohol 68.58
    2-ethylhexanol 16.92
    isooctanol 14.9
    dipropyl ether 15.45
    1,2-dichlorobenzene 36.99
    ethyl lactate 35.93
    propylene carbonate 76.94
    n-methylformamide 145.79
    2-pentanol 21.12
    n-pentane 0.49
    1-propoxy-2-propanol 48.56
    1-methoxy-2-propyl acetate 48.5
    2-(2-methoxypropoxy) propanol 59.5
    mesitylene 8.42
    ε-caprolactone 98.87
    p-cymene 10.23
    epichlorohydrin 178.88
    1,1,1-trichloroethane 43.64
    2-aminoethanol 41.04
    morpholine-4-carbaldehyde 301.17
    sulfolane 206.61
    2,2,4-trimethylpentane 0.9
    2-methyltetrahydrofuran 96.35
    n-hexyl acetate 27.41
    isooctane 0.47
    2-(2-butoxyethoxy)ethanol 67.39
    sec-butyl acetate 25.61
    tert-butyl acetate 33.09
    decalin 1.54
    glycerin 57.96
    diglyme 141.98
    acrylic acid 50.87
    isopropyl myristate 14.34
    n-butyric acid 49.58
    acetyl acetate 42.12
    di(2-ethylhexyl) phthalate 22.68
    ethyl propionate 40.09
    nitromethane 216.78
    1,2-diethoxyethane 54.47
    benzonitrile 58.69
    trioctyl phosphate 14.41
    1-bromopropane 22.08
    gamma-valerolactone 265.35
    n-decanol 13.7
    triethyl phosphate 25.88
    4-methyl-2-pentanol 12.78
    propionitrile 47.31
    vinylene carbonate 86.73
    1,1,2-trichlorotrifluoroethane 151.95
    DMS 40.59
    cumene 10.62
    2-octanol 12.7
    2-hexanone 51.96
    octyl acetate 19.54
    limonene 13.99
    1,2-dimethoxyethane 218.52
    ethyl orthosilicate 22.95
    tributyl phosphate 17.3
    diacetone alcohol 61.91
    N,N-dimethylaniline 51.0
    acrylonitrile 74.86
    aniline 56.8
    1,3-propanediol 64.91
    bromobenzene 28.37
    dibromomethane 56.14
    1,1,2,2-tetrachloroethane 128.72
    2-methyl-cyclohexyl acetate 31.55
    tetrabutyl urea 31.03
    diisobutyl methanol 10.77
    2-phenylethanol 44.29
    styrene 20.91
    dioctyl adipate 27.34
    dimethyl sulfate 111.54
    ethyl butyrate 31.75
    methyl lactate 55.59
    butyl lactate 28.16
    diethyl carbonate 27.39
    propanediol butyl ether 43.67
    triethyl orthoformate 27.16
    p-tert-butyltoluene 9.97
    methyl 4-tert-butylbenzoate 45.52
    morpholine 220.02
    tert-butylamine 19.31
    n-dodecanol 11.07
    dimethoxymethane 173.97
    ethylene carbonate 67.05
    cyrene 85.7
    2-ethoxyethyl acetate 42.64
    2-ethylhexyl acetate 23.9
    1,2,4-trichlorobenzene 52.71
    4-methylpyridine 127.98
    dibutyl ether 16.8
    2,6-dimethyl-4-heptanol 10.77
    DEF 120.5
    dimethyl isosorbide 90.2
    tetrachloroethylene 70.14
    eugenol 55.56
    triacetin 43.02
    span 80 40.35
    1,4-butanediol 34.61
    1,1-dichloroethane 53.8
    2-methyl-1-pentanol 31.12
    methyl formate 122.02
    2-methyl-1-butanol 27.7
    n-decane 1.59
    butyronitrile 44.98
    3,7-dimethyl-1-octanol 16.36
    1-chlorooctane 8.41
    1-chlorotetradecane 4.23
    n-nonane 1.22
    undecane 1.31
    tert-butylcyclohexane 1.29
    cyclooctane 0.61
    cyclopentanol 52.63
    tetrahydropyran 93.78
    tert-amyl methyl ether 29.31
    2,5,8-trioxanonane 104.87
    1-hexene 4.02
    2-isopropoxyethanol 69.59
    2,2,2-trifluoroethanol 55.5
    methyl butyrate 59.02

    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