Bromadiolone

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  • Identifiers

    CAS number
    28772-56-7

    Molecular formula
    C30H23BrO4

    SMILES
    C1=CC=C(C=C1)C(CC(C2=CC=C(C=C2)C3=CC=C(C=C3)Br)O)C4=C(C5=CC=CC=C5OC4=O)O

    Safety labels

    Acute Toxic
    Acute Toxic

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Floral 54.63%
    Sweet 36.47%
    Fruity 36.42%
    Balsamic 34.16%
    Neroli 29.81%
    Grape 29.49%
    Rose 29.15%
    Honey 28.3%
    Animal 27.88%
    Phenolic 27.69%

     

    Flavor
    Bitter 79.89%
    Fruity 23.89%
    Odorless 22.51%
    Mild 21.69%
    Nitrile 19.87%
    Very strong 19.45%
    Cedarleaf 19.35%
    Orange blossom 19.28%
    Indole 19.26%
    Orange flower 19.06%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    6.1

    pKa est.
    6.74 (neutral)

    Molecular weight
    527.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • 392 to 410 °F (EPA, 1998)
    • 198.3-199.8 °C (approximately 100% purity)

    Boiling point

    • Decomposes, without boiling, above the melting point

    Flash point

    • 246.08 ˚C est.
    • 218 °C

    Solubility expt.

    • In water, >1.14X10+4 at pH 5, 2.48X10-3 at pH 7, 0.180 at pH 9 (all in g/L at 20 °C)
    • Soluble in dimethylsulfoxide
    • Solubility at 20-25 °C (g/L): dimethylformamide 730.0; ethyl acetate 25.0; acetone 22.3; chloroform 10.1; ethanol 8.2; methanol 5.6; ethyl ether 3.7; hexane 0.2

  • Synonyms

    • Bromadiolone
    • 28772-56-7
    • Broprodifacoum
    • Bromadiolon
    • Bromatrol
    • Contrac
    • Ratimus
    • Temus
    • Sup'operats
    • Super-rozol
    • Boot hill
    • Topidion
    • Bromore
    • Contrax
    • Eradic
    • Boldo
    • Rafix
    • Rotox
    • Canadien 2000
    • Super-Cald
    • BROMODIOLONE
    • Bromone
    • Caswell No. 486AB
    • Super-caid
    • Bromadiolone [BSI:ISO]
    • Broprodifacoum [South Africa]
    • Bromadialone
    • HSDB 6458
    • EINECS 249-205-9
    • EPA Pesticide Chemical Code 112001
    • BRN 1335336
    • 2H-1-Benzopyran-2-one, 3-[3-(4'-bromo[1,1'-biphenyl]-4-yl)-3-hydroxy-1-phenylpropyl]-4-hydroxy-
    • DTXSID9032589
    • LM-637
    • 3-(3-(4'-Bromo(1,1'-biphenyl)-4-yl)3-hydroxy-1-phenylpropyl)-4-hydroxy-2H-1-benzopyran-2-one
    • DTXCID7012589
    • CHEBI:81855
    • 3-(4-Hydroxycoumarin-3-yl)-3-phenyl-1-(4-bromobiphenyl)propan-1-ol
    • 3-(alpha-(p-Bromophenyl)-beta-hydroxyphenethyl)benzyl-4-hydroxycoumarin
    • (Hydroxy-4 coumarinyl 3)-3 phenyl-3 (bromo-4 biphenylyl-4)-1 propanol-1
    • 3-(3-(4'-Bromobiphenyl-4-yl)-3-hydroxy-1-phenylpropyl)-4-hydroxycoumarin
    • 3-(4-Hydroxy-2-oxochromen-3-yl)-3-phenyl-1-(4-bromobiphenyl)propan-1-ol
    • 3-(alpha-(p-(p-Bromophenyl)-beta-hydroxyphenethyl)benzyl)-4-hydroxycoumarin
    • 3-[3-[4-(4-bromophenyl)phenyl]-3-hydroxy-1-phenylpropyl]-4-hydroxychromen-2-one
    • Coumarin, 3-(alpha-(p-(p-bromophenyl)-beta-hydroxyphenethyl)benzyl)-4-hydroxy-
    • (Hydroxy-4 coumarinyl 3)-3 phenyl-3 (bromo-4 biphenylyl-4)-1 propanol-1 [French]
    • (Hydroxy-4-coumarinyl-3)-3-phenyl-3-(bromo-4-biphenylyl-4)-1-propanol-1 [French]
    • Coumarin, 3-(3-(4'-bromo-1,1'-biphenyl-4-yl)-3-hydroxy-1-phenylpropyl)-4-hydroxy-
    • 2H-1-Benzopyran-2-one, 3-(3-(4'-Bromo(1,1'-biphenyl)-4-yl)-3-hydroxy-1-phenylpropyl)-4-hydroxy-
    • bromodialone
    • (Hydroxy-4-coumarinyl-3)-3-phenyl-3-(bromo-4-biphenylyl-4)-1-propanol-1
    • 3-(3-(4'-Bromo(1,1'-biphenyl)-4-yl)-3-hydroxy-1-phenylpropyl)-4-hydroxy-2-benzopyrone
    • Broprodifacoum (South Africa)
    • 3-[3-(4'-bromo[1,1'-biphenyl]-4-yl)-3-hydroxy-1-phenylpropyl]-4-hydroxy-2-benzopyrone
    • CAS-28772-56-7
    • 3-(3-(4'-Bromo(1,1'-biphenyl)-4-yl)-3-hydroxy-1-phenylpropyl)-4-hydroxy-2H-1-benzopyran-2-one
    • Superrozol
    • Supercaid
    • Tamogam
    • SuperCald
    • (Hydroxy-4-coumarinyl-3)-3-phenyl-3-(bromo-4-biphenylyl-4)-1-propanol-1 (French)
    • 3-(3-(4-(4-bromophenyl)phenyl)-3-hydroxy-1-phenylpropyl)-2-hydroxy-4H-chromen-4-one
    • 3-(3-(4-(4-bromophenyl)phenyl)-3-hydroxy-1-phenylpropyl)-4-hydroxychromen-2-one
    • 3-{3-[4-(4-bromophenyl)phenyl]-3-hydroxy-1-phenylpropyl}-2-hydroxy-4H-chromen-4-one
    • COUMARIN, 3-[ALPHA-[P-(P-BROMOPHENYL)-BETA-HYDROXYPHENETHYL]BENZYL]-4-HYDROXY-
    • TERMUS
    • Slaymor (Salt/Mix)
    • Caswell No 486AB
    • RATIMUS(TAMOGRAM)
    • Rentokil deadline (Salt/Mix)
    • SCHEMBL433993
    • SCHEMBL5933914
    • CHEMBL1165553
    • LM637
    • Tox21_112561
    • Tox21_301920
    • AKOS015907923
    • AKOS030254788
    • Tox21_112561_1
    • FB37325
    • 3-[3-[4-(4-bromophenyl)phenyl]-3-hydroxy-1-phenylpropyl]-2-hydroxychromen-4-one
    • USEPA/OPP Pesticide Code: 112001
    • NCGC00163939-01
    • NCGC00163939-02
    • NCGC00255356-01
    • AC-12416
    • Bromadiolone 100 microg/mL in Acetonitrile
    • DB-047454
    • NS00000686
    • Bromadiolon, PESTANAL(R), analytical standard
    • C18596
    • A819585
    • Q423091
    • 3(4Hydroxycoumarin3yl)3phenyl1(4bromobiphenyl)propan1ol
    • (Hydroxy4coumarinyl3)3phenyl3(bromo4biphenylyl4)1propanol1
    • 3(4Hydroxy2oxochromen3yl)3phenyl1(4bromobiphenyl)propan1ol
    • 3(3(4'Bromobiphenyl4yl)3hydroxy1phenylpropyl)4hydroxycoumarin
    • 3(alpha(pBromophenyl)betahydroxyphenethyl)benzyl4hydroxycoumarin
    • (Hydroxy4 coumarinyl 3)3 phenyl3 (bromo4 biphenylyl4)1 propanol1
    • 3(alpha(p(pBromophenyl)betahydroxyphenethyl)benzyl)4hydroxycoumarin
    • Coumarin, 3(alpha(p(pbromophenyl)betahydroxyphenethyl)benzyl)4hydroxy
    • 3-(alpha-(p-(p-Bromophenyl)-beta-hydroxyphenethyl)benzyl-4-hydroxycoumarin
    • 2H1Benzopyran2one, 3(3(4'Bromo(1,1'biphenyl)4yl)3hydroxy1phenylpropyl)4hydroxy
    • 3(3(4'Bromo(1,1'biphenyl)4yl)3hydroxy1phenylpropyl)4hydroxy2H1benzopyran2one
    • 3-(.alpha.-(p-(p-Bromophenyl)-.beta.-hydroxyphenethyl)benzyl)-4-hydroxycoumarin
    • 3-(1-Phenyl-3-hydroxy-3-(4-(4-bromophenyl)pheny)propyl)-4-hydroxy-coumarin
    • 3-(3-(4'-Bromo-(1,1'-biphenyl)-4-yl)-3-hydroxy-1-phenylpropyl)-4-hydroxy-coumarin
    • 3-[3-[4-(4-bromophenyl)phenyl]-3-hydroxy-1-phenylpropyl]-2-hydroxy-1-benzopyran-4-one
    • 3-[3-[4-(4-bromophenyl)phenyl]-3-oxidanyl-1-phenyl-propyl]-2-oxidanyl-chromen-4-one
    • Coumarin, 3-(.alpha.-(p-(p-bromophenyl)-.beta.-hydroxyphenethyl)benzyl)-4-hydroxy-
    • Coumarin, 3-(alpha-(p-(p-bromophenyl)-beta-hydroxyphenethyl)benzyl)-4-hydroxy-(8CI)
    • 3-[3-(4'-Bromo[1,1'-biphenyl]-4-yl)-3-hydroxy-1-phenylpropyl]-4-hydroxy-2H-chromen-2-one

  • Applications

    Bromadiolone (CAS 28772-56-7) is an anticoagulant rodenticide used as the active ingredient in baits for controlling mice and rats. It is formulated in pellets, blocks, or loose bait and employed in agricultural storage facilities and grain stores, in food-processing and handling environments, in urban and commercial pest-control programs, and in household pest-control settings; its use is aligned with integrated pest management (IPM) strategies and subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.37
    methanol 0.59
    isopropanol 0.22
    water 0.0
    ethyl acetate 0.23
    n-propanol 0.47
    acetone 0.51
    n-butanol 0.34
    acetonitrile 0.07
    DMF 8.04
    toluene 0.21
    isobutanol 0.26
    1,4-dioxane 2.27
    methyl acetate 0.42
    THF 9.01
    2-butanone 0.96
    n-pentanol 0.35
    sec-butanol 0.32
    n-hexane 0.0
    ethylene glycol 0.26
    NMP 8.54
    cyclohexane 0.0
    DMSO 5.06
    n-butyl acetate 0.31
    n-octanol 0.23
    chloroform 0.7
    n-propyl acetate 0.31
    acetic acid 1.09
    dichloromethane 0.71
    cyclohexanone 1.84
    propylene glycol 0.57
    isopropyl acetate 0.24
    DMAc 11.15
    2-ethoxyethanol 2.07
    isopentanol 0.28
    n-heptane 0.01
    ethyl formate 0.34
    1,2-dichloroethane 0.44
    n-hexanol 0.21
    2-methoxyethanol 3.81
    isobutyl acetate 0.22
    tetrachloromethane 0.04
    n-pentyl acetate 0.65
    transcutol 7.07
    n-heptanol 0.33
    ethylbenzene 0.09
    MIBK 0.39
    2-propoxyethanol 2.47
    tert-butanol 0.2
    MTBE 0.21
    2-butoxyethanol 2.04
    propionic acid 0.62
    o-xylene 0.12
    formic acid 0.94
    diethyl ether 0.16
    m-xylene 0.12
    p-xylene 0.11
    chlorobenzene 0.22
    dimethyl carbonate 0.78
    n-octane 0.01
    formamide 1.21
    cyclopentanone 4.04
    2-pentanone 0.56
    anisole 0.54
    cyclopentyl methyl ether 0.89
    gamma-butyrolactone 3.83
    1-methoxy-2-propanol 3.25
    pyridine 2.3
    3-pentanone 0.41
    furfural 4.4
    n-dodecane 0.01
    diethylene glycol 1.68
    diisopropyl ether 0.04
    tert-amyl alcohol 0.3
    acetylacetone 1.11
    n-hexadecane 0.01
    acetophenone 0.79
    methyl propionate 0.57
    isopentyl acetate 0.36
    trichloroethylene 1.93
    n-nonanol 0.29
    cyclohexanol 0.31
    benzyl alcohol 0.78
    2-ethylhexanol 0.17
    isooctanol 0.3
    dipropyl ether 0.33
    1,2-dichlorobenzene 0.22
    ethyl lactate 0.56
    propylene carbonate 0.97
    n-methylformamide 1.76
    2-pentanol 0.17
    n-pentane 0.0
    1-propoxy-2-propanol 1.77
    1-methoxy-2-propyl acetate 1.38
    2-(2-methoxypropoxy) propanol 2.38
    mesitylene 0.05
    ε-caprolactone 1.67
    p-cymene 0.08
    epichlorohydrin 6.0
    1,1,1-trichloroethane 0.14
    2-aminoethanol 0.63
    morpholine-4-carbaldehyde 9.44
    sulfolane 8.46
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 1.3
    n-hexyl acetate 0.6
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 2.83
    sec-butyl acetate 0.22
    tert-butyl acetate 0.4
    decalin 0.01
    glycerin 1.88
    diglyme 5.71
    acrylic acid 0.98
    isopropyl myristate 0.25
    n-butyric acid 0.65
    acetyl acetate 0.22
    di(2-ethylhexyl) phthalate 0.52
    ethyl propionate 0.27
    nitromethane 1.82
    1,2-diethoxyethane 1.24
    benzonitrile 0.35
    trioctyl phosphate 0.28
    1-bromopropane 0.12
    gamma-valerolactone 10.73
    n-decanol 0.18
    triethyl phosphate 0.35
    4-methyl-2-pentanol 0.13
    propionitrile 0.14
    vinylene carbonate 1.15
    1,1,2-trichlorotrifluoroethane 6.96
    DMS 0.83
    cumene 0.06
    2-octanol 0.2
    2-hexanone 0.51
    octyl acetate 0.36
    limonene 0.11
    1,2-dimethoxyethane 3.41
    ethyl orthosilicate 0.35
    tributyl phosphate 0.29
    diacetone alcohol 1.33
    N,N-dimethylaniline 0.46
    acrylonitrile 0.34
    aniline 0.57
    1,3-propanediol 0.96
    bromobenzene 0.17
    dibromomethane 0.22
    1,1,2,2-tetrachloroethane 1.61
    2-methyl-cyclohexyl acetate 0.41
    tetrabutyl urea 0.64
    diisobutyl methanol 0.14
    2-phenylethanol 0.63
    styrene 0.1
    dioctyl adipate 0.6
    dimethyl sulfate 2.29
    ethyl butyrate 0.32
    methyl lactate 1.42
    butyl lactate 1.04
    diethyl carbonate 0.23
    propanediol butyl ether 1.95
    triethyl orthoformate 0.51
    p-tert-butyltoluene 0.09
    methyl 4-tert-butylbenzoate 1.48
    morpholine 3.62
    tert-butylamine 0.07
    n-dodecanol 0.12
    dimethoxymethane 3.5
    ethylene carbonate 0.61
    cyrene 3.06
    2-ethoxyethyl acetate 1.66
    2-ethylhexyl acetate 0.28
    1,2,4-trichlorobenzene 0.5
    4-methylpyridine 1.22
    dibutyl ether 0.31
    2,6-dimethyl-4-heptanol 0.14
    DEF 1.36
    dimethyl isosorbide 4.52
    tetrachloroethylene 0.85
    eugenol 1.83
    triacetin 1.39
    span 80 1.91
    1,4-butanediol 0.34
    1,1-dichloroethane 0.17
    2-methyl-1-pentanol 0.32
    methyl formate 1.36
    2-methyl-1-butanol 0.33
    n-decane 0.01
    butyronitrile 0.13
    3,7-dimethyl-1-octanol 0.23
    1-chlorooctane 0.08
    1-chlorotetradecane 0.03
    n-nonane 0.01
    undecane 0.01
    tert-butylcyclohexane 0.01
    cyclooctane 0.0
    cyclopentanol 0.53
    tetrahydropyran 0.78
    tert-amyl methyl ether 0.27
    2,5,8-trioxanonane 3.9
    1-hexene 0.03
    2-isopropoxyethanol 1.12
    2,2,2-trifluoroethanol 0.45
    methyl butyrate 0.45

    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