Brodifacoum

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  • Identifiers

    CAS number
    56073-10-0

    Molecular formula
    C31H23BrO3

    SMILES
    C1C(CC2=CC=CC=C2C1C3=C(C4=CC=CC=C4OC3=O)O)C5=CC=C(C=C5)C6=CC=C(C=C6)Br

    Safety labels

    Acute Toxic
    Acute Toxic

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Floral 53.55%
    Animal 38.62%
    Phenolic 37.35%
    Sweet 35.73%
    Neroli 30.6%
    Fruity 29.0%
    Balsamic 28.6%
    Spicy 27.97%
    Honey 27.9%
    Orange 26.89%

     

    Flavor
    Bitter 74.44%
    Animal 24.59%
    Fruity 23.65%
    Very strong 22.17%
    Indole 21.98%
    Moth ball 21.23%
    Naphthelene 21.12%
    Nitrile 20.9%
    Orange blossom 20.06%
    Cedarleaf 20.06%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    7.6

    pKa est.
    6.58 (neutral)

    Molecular weight
    523.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1371°C

    Melting point expt.

    • 232 °C (Decomp) (98.7 % purity)
    • MP: 230 °C

    Flash point

    • 239.97 ˚C est.

    Solubility expt.

    • Forms amine salts of limited solubility in water.
    • In water, 0.24 mg/L at 20 °C and pH 7.4
    • In acetone 23; dichloromethane 50; tolune 7.2 (all in g/L, 20 °C)
    • Slightly soluble in benzene
    • Moderately soluble in ethyl acetate.
    • Insoluble in petroleum ether. Soluble in ethanol.

  • Synonyms

    • BRODIFACOUM
    • 56073-10-0
    • Bromfenacoum
    • Klerat
    • Talon
    • Volid
    • Brodifakum
    • Talon rodenticide
    • Brodimat
    • WBA 8119
    • Caswell No. 114AAA
    • Brodifacoum [ISO]
    • Brodifacoum [ANSI:BSI:ISO]
    • HSDB 3916
    • EINECS 259-980-5
    • UNII-A25P3CP5S7
    • PP 581
    • EPA Pesticide Chemical Code 112701
    • CHEBI:81892
    • BRODIFACOUM [MI]
    • 2H-1-Benzopyran-2-one, 3-(3-(4'-bromo(1,1'-biphenyl)-4-yl)-1,2,3,4-tetrahydro-1-naphthalenyl)-4-hydroxy-
    • BRODIFACOUM [HSDB]
    • BRODIFACOUM [MART.]
    • 3-(3-(4'-Bromobiphenyl-4-yl)-1,2,3,4-tetrahydronaphth-1-yl)-4-hydroxycoumarin
    • 3-[3-[4-(4-bromophenyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-2-hydroxychromen-4-one
    • A25P3CP5S7
    • BRODIFACOUM [NFLIS-DRUG]
    • DTXSID5032529
    • WBA-8119
    • PP-581
    • 3-(3-(4'-Bromo-1,1'-biphenyl-4-yl)-1,2,3,4-tetrahydro-1-naphthyl)-4-hydroxycoumarin
    • Super warfarin
    • BRODIFACOUM (MART.)
    • Coumarin, 3-(3-(4'-bromo-1,1'-biphenyl-4-yl)-1,2,3,4-tetrahydro-1-naphthyl)-4-hydroxy-
    • 3-(3-(4'-Bromo(1,1'-biphenyl)-4-yl)-1,2,3,4-tetrahydro-1-naphthalenyl)-4-hydroxy-2H-1-benzopyran-2-one
    • 3-[(1S,3R)-3-[4-(4-bromophenyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-4-hydroxychromen-2-one
    • 80449-88-3
    • Brodifakum [Czech]
    • Brodifacoum (ANSI:BSI:ISO)
    • BRODIFACOUM (NFLIS-DRUG)
    • 3-(3-(4'-BROMOBIPHENYL-4-YL)-1,2,3,4-TETRAHYDRO-1-NAPHTHYL)-4-HYDROXYCOUMARIN
    • 2H-1-Benzopyran-2-one, 3-[3-(4'-bromo[1,1'-biphenyl]-4-yl)-1,2,3,4-tetrahydro-1-naphthalenyl]-4-hydroxy-
    • 3-(3-(4'-Bromo-[1,1'-biphenyl]-4-yl)-1,2,3,4-tetrahydronaphthalen-1-yl)-2-hydroxy-4H-chromen-4-one
    • 3-(3-{4'-bromo-[1,1'-biphenyl]-4-yl}-1,2,3,4-tetrahydronaphthalen-1-yl)-2-hydroxy-4H-chromen-4-one
    • 3-[3-(4'-Bromo[1,1'-biphenyl]-4-yl)-1,2,3,4-tetrahydro-1-naphthalenyl]-4-hydroxy-2H-1-benzopyran-2-one
    • Volak
    • 3-(3-(4-(4-bromophenyl)phenyl)-1,2,3,4-tetrahydronaphthalen-1-yl)-2-hydroxy-4H-chromen-4-one
    • 3-{3-[4-(4-bromophenyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl}-2-hydroxy-4H-chromen-4-one
    • 4-Hydroxy-3-(3-(4'-bromo-4-biphenylyl)-1,2,3,4-tetrahydro-1-naphthyl)coumarin
    • SCHEMBL435133
    • CHEMBL233451
    • SCHEMBL5933635
    • DTXCID3012529
    • BDBM50629253
    • AKOS015907950
    • FB19013
    • 3-(3-(4'-Bromo-(1,1'-biphenyl)-4-yl)-1,2,3,4-tetrahydro-1-napthalenyl)-4-hydroxycoumarin
    • USEPA/OPP Pesticide Code: 112701
    • DB-052847
    • NS00015497
    • Brodifacoum, PESTANAL(R), analytical standard
    • C18694
    • A830909
    • Q421203
    • 3(3(4'Bromobiphenyl4yl)1,2,3,4tetrahydronaphth1yl)4hydroxycoumarin
    • 3(3(4'Bromo1,1'biphenyl4yl)1,2,3,4tetrahydro1naphthyl)4hydroxycoumarin
    • 2H1Benzopyran2one, 3(3(4'bromo(1,1'biphenyl)4yl) 1,2,3,4tetrahydro1naphthalenyl)4hydroxy
    • 3(3(4'Bromo(1,1'biphenyl)4yl)1,2,3,4tetrahydro1naphthalenyl)4hydroxy2H1benzopyra n2one
    • 3-(3-4'-bromobiphenyl-4-yl)-1,2,3,4-tetrahydro-1-naphthyl)-4-hydroxycoumarin
    • 3-[3-[4-(4-bromophenyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-4-hydroxychromen-2-one
    • 259-980-5
    • 3-(3-(4'-bromo(1,1'-biphenyl)4-yl)-1,2,3,4-tetrahydro-1-naphthalenyl)-4-hydroxy-2H-1-benzopyran-2-one
    • 3-[3-(4'-Bromo[1,1'-biphenyl]-4-yl)-1,2,3,4-tetrahydro-1-naphthalenyl]-4-hydroxy-2H-1-benzopyran-2-one;BFC;Brodifacoum
    • 3-[3-(4'-Bromo[1,1'-biphenyl]-4-yl)-1,2,3,4-tetrahydro-1-naphthalenyl]-4-hydroxy-2H-chromen-2-one #
    • 3-[3-[4-(4-bromophenyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-2-hydroxy-1-benzopyran-4-one
    • 3-[3-[4-(4-bromophenyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-2-oxidanyl-chromen-4-one

  • Applications

    Brodifacoum (CAS 56073-10-0) is a potent anticoagulant rodenticide used as the active ingredient in commercial rodenticide baits (blocks, pellets, gels) to control rats and mice in agricultural storage and stored-product protection; in urban and household pest control with bait placements; in grain handling facilities and feed mills to protect stored goods; and in professional pest management programs at food-processing plants and warehouses, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.11
    methanol 0.16
    isopropanol 0.08
    water 0.0
    ethyl acetate 0.2
    n-propanol 0.17
    acetone 0.27
    n-butanol 0.17
    acetonitrile 0.04
    DMF 2.08
    toluene 0.42
    isobutanol 0.12
    1,4-dioxane 1.5
    methyl acetate 0.25
    THF 4.13
    2-butanone 0.55
    n-pentanol 0.17
    sec-butanol 0.13
    n-hexane 0.01
    ethylene glycol 0.04
    NMP 2.46
    cyclohexane 0.01
    DMSO 1.03
    n-butyl acetate 0.34
    n-octanol 0.14
    chloroform 2.16
    n-propyl acetate 0.27
    acetic acid 0.33
    dichloromethane 1.81
    cyclohexanone 1.3
    propylene glycol 0.09
    isopropyl acetate 0.24
    DMAc 3.48
    2-ethoxyethanol 0.68
    isopentanol 0.18
    n-heptane 0.01
    ethyl formate 0.2
    1,2-dichloroethane 0.73
    n-hexanol 0.15
    2-methoxyethanol 1.0
    isobutyl acetate 0.25
    tetrachloromethane 0.09
    n-pentyl acetate 0.57
    transcutol 3.58
    n-heptanol 0.19
    ethylbenzene 0.16
    MIBK 0.37
    2-propoxyethanol 1.22
    tert-butanol 0.09
    MTBE 0.18
    2-butoxyethanol 1.0
    propionic acid 0.21
    o-xylene 0.19
    formic acid 0.19
    diethyl ether 0.15
    m-xylene 0.21
    p-xylene 0.2
    chlorobenzene 0.43
    dimethyl carbonate 0.42
    n-octane 0.01
    formamide 0.27
    cyclopentanone 2.1
    2-pentanone 0.43
    anisole 0.58
    cyclopentyl methyl ether 0.73
    gamma-butyrolactone 1.77
    1-methoxy-2-propanol 0.91
    pyridine 1.88
    3-pentanone 0.35
    furfural 2.54
    n-dodecane 0.01
    diethylene glycol 0.61
    diisopropyl ether 0.06
    tert-amyl alcohol 0.14
    acetylacetone 0.8
    n-hexadecane 0.01
    acetophenone 0.71
    methyl propionate 0.36
    isopentyl acetate 0.46
    trichloroethylene 3.74
    n-nonanol 0.19
    cyclohexanol 0.18
    benzyl alcohol 0.54
    2-ethylhexanol 0.15
    isooctanol 0.21
    dipropyl ether 0.32
    1,2-dichlorobenzene 0.45
    ethyl lactate 0.29
    propylene carbonate 0.61
    n-methylformamide 0.47
    2-pentanol 0.1
    n-pentane 0.0
    1-propoxy-2-propanol 0.92
    1-methoxy-2-propyl acetate 1.23
    2-(2-methoxypropoxy) propanol 1.44
    mesitylene 0.09
    ε-caprolactone 1.09
    p-cymene 0.14
    epichlorohydrin 3.96
    1,1,1-trichloroethane 0.37
    2-aminoethanol 0.12
    morpholine-4-carbaldehyde 3.81
    sulfolane 3.15
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 0.82
    n-hexyl acetate 0.52
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 1.6
    sec-butyl acetate 0.24
    tert-butyl acetate 0.41
    decalin 0.01
    glycerin 0.3
    diglyme 3.43
    acrylic acid 0.31
    isopropyl myristate 0.26
    n-butyric acid 0.36
    acetyl acetate 0.21
    di(2-ethylhexyl) phthalate 0.47
    ethyl propionate 0.25
    nitromethane 0.63
    1,2-diethoxyethane 1.06
    benzonitrile 0.33
    trioctyl phosphate 0.23
    1-bromopropane 0.22
    gamma-valerolactone 5.32
    n-decanol 0.13
    triethyl phosphate 0.32
    4-methyl-2-pentanol 0.1
    propionitrile 0.1
    vinylene carbonate 0.81
    1,1,2-trichlorotrifluoroethane 3.63
    DMS 0.68
    cumene 0.1
    2-octanol 0.12
    2-hexanone 0.43
    octyl acetate 0.31
    limonene 0.17
    1,2-dimethoxyethane 1.81
    ethyl orthosilicate 0.34
    tributyl phosphate 0.25
    diacetone alcohol 0.76
    N,N-dimethylaniline 0.48
    acrylonitrile 0.19
    aniline 0.51
    1,3-propanediol 0.24
    bromobenzene 0.46
    dibromomethane 0.59
    1,1,2,2-tetrachloroethane 2.64
    2-methyl-cyclohexyl acetate 0.46
    tetrabutyl urea 0.52
    diisobutyl methanol 0.15
    2-phenylethanol 0.54
    styrene 0.18
    dioctyl adipate 0.57
    dimethyl sulfate 1.05
    ethyl butyrate 0.35
    methyl lactate 0.49
    butyl lactate 0.66
    diethyl carbonate 0.23
    propanediol butyl ether 0.73
    triethyl orthoformate 0.51
    p-tert-butyltoluene 0.15
    methyl 4-tert-butylbenzoate 1.19
    morpholine 1.64
    tert-butylamine 0.05
    n-dodecanol 0.08
    dimethoxymethane 1.44
    ethylene carbonate 0.47
    cyrene 1.49
    2-ethoxyethyl acetate 1.37
    2-ethylhexyl acetate 0.39
    1,2,4-trichlorobenzene 0.92
    4-methylpyridine 1.18
    dibutyl ether 0.29
    2,6-dimethyl-4-heptanol 0.15
    DEF 0.79
    dimethyl isosorbide 3.16
    tetrachloroethylene 1.46
    eugenol 1.33
    triacetin 1.03
    span 80 1.18
    1,4-butanediol 0.09
    1,1-dichloroethane 0.33
    2-methyl-1-pentanol 0.21
    methyl formate 0.44
    2-methyl-1-butanol 0.18
    n-decane 0.02
    butyronitrile 0.1
    3,7-dimethyl-1-octanol 0.19
    1-chlorooctane 0.09
    1-chlorotetradecane 0.04
    n-nonane 0.01
    undecane 0.01
    tert-butylcyclohexane 0.01
    cyclooctane 0.0
    cyclopentanol 0.23
    tetrahydropyran 0.63
    tert-amyl methyl ether 0.23
    2,5,8-trioxanonane 2.36
    1-hexene 0.04
    2-isopropoxyethanol 0.5
    2,2,2-trifluoroethanol 0.15
    methyl butyrate 0.38

    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