Diquat Dibromide

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  • Identifiers

    CAS number
    85-00-7

    Molecular formula
    C12H12Br2N2

    SMILES
    C1C[N+]2=CC=CC=C2C3=CC=CC=[N+]31.[Br-].[Br-]

    Safety labels

    Acute Toxic
    Acute Toxic

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Animal 58.88%
    Floral 48.55%
    Sweet 40.53%
    Earthy 39.45%
    Musty 33.66%
    Burnt 28.38%
    Phenolic 28.34%
    Pungent 27.87%
    Leathery 26.54%
    Tobacco 26.15%

     

    Flavor
    Bitter 49.0%
    Animal 34.51%
    Sweet 25.1%
    Floral 23.79%
    Very strong 23.6%
    Indole 23.19%
    Moth ball 23.01%
    Naphthelene 22.77%
    Cereal 21.83%
    Alkaline 21.82%

     

    Odor impact est.
    High

  • Properties

    pKa est.
    7.03 (neutral)

    Molecular weight
    344.04 g/mol

    Melting point expt.

    • 337 °C
    • 635 °F

    Boiling point

    • Decomposes

    Flash point

    • 144.73 ˚C est.

    Solubility expt.

    • Slightly soluble in alcohols, hydroxylic solvents. Practically insoluble in nonpolar organic solvents.
    • In water, 708,000 mg/l @ 20 °C
    • Solubility in water, g/100ml at 20 °C: 70
    • 70%

  • Synonyms

    • DIQUAT DIBROMIDE
    • 85-00-7
    • Aquacide
    • Reglon
    • Reglox
    • Preeglone
    • Deiquat
    • Detrone
    • Ortho-Diquat
    • Reglon dibromide (USSR)
    • Deiquat dibromide (USSR)
    • Ethylene dipyridylium dibromide
    • PP 100
    • 6BDV3T272W
    • 1,1'-Ethylene 2,2'-dipyridylium dibromide
    • 1,1'-Ethylene-2,2'-bipyridylium dibromide
    • 9,10-Dihydro-8a,10a-diazoniaphenanthrene dibromide
    • 1,1'-Aethylen-2,2'-bipyridinium-dibromid
    • DTXSID3024075
    • Dipyrido(1,2-a:2',1'-c)pyrazinediium, 6,7-dihydro-, dibromide
    • 9,10-Dihydro-8a,10a-diazoniaphenanthrene(1,1'-ethylene-2,2'-bipyridylium)dibromide
    • NSC-116553
    • Dipyrido[1,2-a:2',1'-c]pyrazinediium, 6,7-dihydro-, dibromide
    • Dibromide, Diquat
    • RefChem:920445
    • DTXCID504075
    • 5,6-Dihydro-dipyrido(1,2a;2,1c)pyrazinium dibromide
    • 6,7-Dihydropyrido(1,2-a;2',1'-c)pyrazinedium dibromide
    • 201-579-4
    • 7lambda5,10lambda5-diazatricyclo(8.4.0.02,7)tetradeca-1(14),2,4,6,10,12-hexaene-7,10-bis(ylium) dibromide
    • Dextrone
    • Reglone
    • Weedtrine-D
    • Diquat dibromide [ISO]
    • 6,7-Dihydrodipyrido[1,2-a:2',1'-c]pyrazine-5,8-diium bromide
    • MFCD00078635
    • 7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-1(14),2,4,6,10,12-hexaene;dibromide
    • 34417-68-0
    • Caswell No. 402
    • Diquat dibromide 100 microg/mL in Water
    • HSDB 1700
    • EINECS 201-579-4
    • EPA Pesticide Chemical Code 032201
    • NSC 116553
    • UNII-6BDV3T272W
    • 1,1'-Ethylene-2,2'-bipyridinium dibromide
    • 1,1'-Aethylen-2,2'-bipyridinium-dibromid [German]
    • 6,7-Dihydrodipyrido(1,2-a:2',1'-c)pyrazinedium dibromide
    • SCHEMBL52886
    • DIQUAT DIBROMIDE [MI]
    • orb1692824
    • DIQUAT DIBROMIDE [HSDB]
    • CHEMBL1599022
    • SCHEMBL31131452
    • DIQUAT DIBROMIDE [MART.]
    • ODPOAESBSUKMHD-UHFFFAOYSA-L
    • Dipyrido(1,2-a;2',1'-c)pyrazinediium, 6,7-dihydro-, dibromide
    • MSK156799
    • AKOS015902672
    • Dipyrido(1,2-a:2',1'-c)pyrazinediium, 6,7-dihydro-, labeled with carbon-14, dibromide
    • NCGC00163714-01
    • AS-15492
    • ST020587
    • HY-122984
    • CS-0090817
    • NS00078917
    • G88708
    • A917748
    • Q910903
    • 9,10-DIHYDRO-8A,10A-DIAZOPHENANTHRENE DIBROMIDE
    • 6,7-DIHYDRO-DIPYRIDO(1,2-A:2',1-C)PYRAZINEDIIUM DIBROMIDE
    • 6,7-Dihydrodipyrido[1,2-a:2',1'-c]pyrazine-5,8-diium dibromide
    • 6,7-dihydropyridino[1,2-a]pyridino[2,1-c]pyrazine, bromide, bromide
    • DIPYRIDO(1,2-A:2',1'-C)PYRAZINEDIIUM, 6,7-DIHYDRO-, BROMIDE (1:2)
    • 85-00-7

  • Applications

    Diquat Dibromide (CAS 85-00-7) is a non-selective contact herbicide used primarily for vegetation control in agricultural and non-agricultural settings. Typical applications include post-emergence weed control in crop fields, acting as a desiccant to accelerate harvest in certain crops, management of turf and ornamental landscapes such as lawns and golf courses, vegetation control around non-crop areas including roadsides, rights-of-way, and industrial sites, and management of aquatic weeds and nuisance aquatic vegetation in ponds, reservoirs, irrigation ditches, and other water bodies.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 11.35
    methanol 12.39
    isopropanol 5.32
    water 0.5
    ethyl acetate 25.84
    n-propanol 10.04
    acetone 22.1
    n-butanol 8.56
    acetonitrile 20.61
    DMF 56.69
    toluene 28.53
    isobutanol 7.57
    1,4-dioxane 54.2
    methyl acetate 24.27
    THF 74.29
    2-butanone 22.49
    n-pentanol 9.2
    sec-butanol 5.7
    n-hexane 2.7
    ethylene glycol 8.28
    NMP 105.25
    cyclohexane 8.45
    DMSO 68.9
    n-butyl acetate 29.9
    n-octanol 7.1
    chloroform 162.78
    n-propyl acetate 20.73
    acetic acid 33.71
    dichloromethane 193.47
    cyclohexanone 61.04
    propylene glycol 3.01
    isopropyl acetate 14.48
    DMAc 58.51
    2-ethoxyethanol 22.79
    isopentanol 7.8
    n-heptane 5.46
    ethyl formate 36.64
    1,2-dichloroethane 109.21
    n-hexanol 16.1
    2-methoxyethanol 30.9
    isobutyl acetate 15.16
    tetrachloromethane 33.63
    n-pentyl acetate 17.85
    transcutol 51.28
    n-heptanol 9.68
    ethylbenzene 15.96
    MIBK 11.98
    2-propoxyethanol 38.09
    tert-butanol 5.85
    MTBE 6.31
    2-butoxyethanol 21.75
    propionic acid 20.93
    o-xylene 22.49
    formic acid 23.73
    diethyl ether 14.79
    m-xylene 18.73
    p-xylene 21.97
    chlorobenzene 53.91
    dimethyl carbonate 18.4
    n-octane 2.78
    formamide 33.8
    cyclopentanone 76.46
    2-pentanone 16.88
    anisole 20.08
    cyclopentyl methyl ether 30.48
    gamma-butyrolactone 119.86
    1-methoxy-2-propanol 15.12
    pyridine 97.44
    3-pentanone 21.13
    furfural 135.55
    n-dodecane 2.32
    diethylene glycol 38.86
    diisopropyl ether 5.5
    tert-amyl alcohol 6.04
    acetylacetone 25.96
    n-hexadecane 2.64
    acetophenone 29.09
    methyl propionate 25.8
    isopentyl acetate 26.24
    trichloroethylene 195.69
    n-nonanol 7.81
    cyclohexanol 14.67
    benzyl alcohol 24.37
    2-ethylhexanol 15.67
    isooctanol 8.54
    dipropyl ether 19.82
    1,2-dichlorobenzene 56.13
    ethyl lactate 14.28
    propylene carbonate 61.75
    n-methylformamide 37.0
    2-pentanol 5.16
    n-pentane 2.8
    1-propoxy-2-propanol 23.0
    1-methoxy-2-propyl acetate 28.35
    2-(2-methoxypropoxy) propanol 20.63
    mesitylene 12.78
    ε-caprolactone 55.7
    p-cymene 17.54
    epichlorohydrin 113.82
    1,1,1-trichloroethane 59.06
    2-aminoethanol 9.38
    morpholine-4-carbaldehyde 81.42
    sulfolane 126.34
    2,2,4-trimethylpentane 1.71
    2-methyltetrahydrofuran 45.03
    n-hexyl acetate 17.47
    isooctane 1.18
    2-(2-butoxyethoxy)ethanol 25.3
    sec-butyl acetate 13.11
    tert-butyl acetate 13.11
    decalin 5.28
    glycerin 10.19
    diglyme 52.56
    acrylic acid 28.95
    isopropyl myristate 9.65
    n-butyric acid 27.33
    acetyl acetate 21.54
    di(2-ethylhexyl) phthalate 14.45
    ethyl propionate 19.3
    nitromethane 52.64
    1,2-diethoxyethane 24.86
    benzonitrile 44.47
    trioctyl phosphate 9.86
    1-bromopropane 36.13
    gamma-valerolactone 99.51
    n-decanol 6.9
    triethyl phosphate 21.27
    4-methyl-2-pentanol 4.71
    propionitrile 22.48
    vinylene carbonate 72.03
    1,1,2-trichlorotrifluoroethane 78.34
    DMS 26.16
    cumene 13.49
    2-octanol 5.62
    2-hexanone 17.96
    octyl acetate 12.25
    limonene 19.54
    1,2-dimethoxyethane 42.4
    ethyl orthosilicate 19.48
    tributyl phosphate 13.14
    diacetone alcohol 15.36
    N,N-dimethylaniline 18.38
    acrylonitrile 38.57
    aniline 30.66
    1,3-propanediol 12.28
    bromobenzene 59.15
    dibromomethane 116.4
    1,1,2,2-tetrachloroethane 128.54
    2-methyl-cyclohexyl acetate 24.09
    tetrabutyl urea 17.65
    diisobutyl methanol 9.86
    2-phenylethanol 29.94
    styrene 18.06
    dioctyl adipate 15.33
    dimethyl sulfate 34.24
    ethyl butyrate 26.03
    methyl lactate 14.82
    butyl lactate 15.22
    diethyl carbonate 22.83
    propanediol butyl ether 11.19
    triethyl orthoformate 22.04
    p-tert-butyltoluene 14.0
    methyl 4-tert-butylbenzoate 25.38
    morpholine 48.36
    tert-butylamine 4.8
    n-dodecanol 6.22
    dimethoxymethane 33.05
    ethylene carbonate 56.89
    cyrene 30.53
    2-ethoxyethyl acetate 26.42
    2-ethylhexyl acetate 23.92
    1,2,4-trichlorobenzene 61.29
    4-methylpyridine 57.89
    dibutyl ether 12.54
    2,6-dimethyl-4-heptanol 9.86
    DEF 30.98
    dimethyl isosorbide 47.26
    tetrachloroethylene 112.96
    eugenol 24.97
    triacetin 21.79
    span 80 15.93
    1,4-butanediol 7.34
    1,1-dichloroethane 50.58
    2-methyl-1-pentanol 10.04
    methyl formate 39.53
    2-methyl-1-butanol 7.56
    n-decane 3.18
    butyronitrile 21.38
    3,7-dimethyl-1-octanol 8.66
    1-chlorooctane 9.52
    1-chlorotetradecane 5.47
    n-nonane 2.91
    undecane 2.63
    tert-butylcyclohexane 3.58
    cyclooctane 3.56
    cyclopentanol 18.77
    tetrahydropyran 40.92
    tert-amyl methyl ether 7.79
    2,5,8-trioxanonane 38.79
    1-hexene 7.68
    2-isopropoxyethanol 16.43
    2,2,2-trifluoroethanol 26.54
    methyl butyrate 25.37

    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