Bifonazole

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  • Identifiers

    CAS number
    60628-96-8

    Molecular formula
    C22H18N2

    SMILES
    C1=CC=C(C=C1)C2=CC=C(C=C2)C(C3=CC=CC=C3)N4C=CN=C4

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Floral 55.9%
    Green 50.54%
    Rose 50.37%
    Earthy 43.1%
    Metallic 41.99%
    Geranium 38.9%
    Fruity 35.39%
    Animal 34.7%
    Pungent 31.16%
    Honey 29.42%

     

    Flavor
    Bitter 39.71%
    Green 28.43%
    Rose 25.36%
    Waxy 23.48%
    Geranium 22.56%
    Balsam 21.55%
    Fruity 20.81%
    Moth ball 20.76%
    Tar 20.66%
    Naphthelene 20.52%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.8

    pKa est.
    5.95 (weak acid)

    Molecular weight
    310.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    690°C

    Melting point expt.

    • 142

    Flash point

    • 235.47 ˚C est.

    Solubility expt.

    • 2.45e-03 g/L
    • 0.7 [ug/mL] (The mean of the results at pH 7.4)

  • Synonyms

    • bifonazole
    • 60628-96-8
    • Mycospor
    • Trifonazole
    • Bifonazol
    • BAY H 4502
    • Bifonazolum
    • 1-((4-Biphenylyl)phenylmethyl)-1H-imidazole
    • 1-(alpha-(4-Biphenylyl)benzyl)imidazole
    • Bay-h-4502
    • Bay H-4502
    • (+-)-1-(p,alpha-Diphenylbenzyl)imidazole
    • DTXSID9045631
    • NSC-758954
    • QYJ305Z91O
    • D01AC10
    • DTXCID7025631
    • 1-((4-biphenylyl)-phenylmethyl)-1H-imidazole
    • 1H-Imidazole, 1-((1,1'-biphenyl)-4-ylphenylmethyl)-, (+-)-
    • 1-(phenyl(4-phenylphenyl)methyl)-1H-imidazole
    • 1-[phenyl(4-phenylphenyl)methyl]-1H-imidazole
    • bifonazolo
    • RefChem:568329
    • CHEBI:31286
    • 1-((RS)-(Biphenyl-4-yl)(phenyl)methyl)-1H-imidazole
    • 262-336-6
    • Amycor
    • Azolmen
    • 1-[phenyl-(4-phenylphenyl)methyl]imidazole
    • Bifonazol [INN-Spanish]
    • Bifonazolum [INN-Latin]
    • 1H-Imidazole, 1-([1,1'-biphenyl]-4-ylphenylmethyl)-
    • 1-([1,1'-Biphenyl]-4-yl(phenyl)methyl)-1H-imidazole
    • (+/-)-Bifonazole
    • 1-(p,alpha-Diphenylbenzyl)imidazole
    • MFCD00865567
    • MLS000028576
    • CHEMBL277535
    • 1-[biphenyl-4-yl(phenyl)methyl]-1H-imidazole
    • 1H-Imidazole, 1-((1,1'-biphenyl)-4-ylphenylmethyl)-
    • (+-)1-([1,1'-Biphenyl]-4-ylphenylmethyl)-1H-imidazole
    • NCGC00018254-03
    • SMR000058970
    • 1-[biphenyl-4-yl(phenyl)methyl]imidazole
    • 1-(ALPHA,4-DIPHENYLBENZYL)IMIDAZOLE
    • 1-({[1,1'-biphenyl]-4-yl}(phenyl)methyl)-1H-imidazole
    • Mycospor (TN)
    • CAS-60628-96-8
    • SR-01000003136
    • EINECS 262-336-6
    • BRN 0618427
    • 1-[([1,1'-Biphenyl]-4-yl)(phenyl)methyl]-1H-imidazole
    • UNII-QYJ305Z91O
    • Mycosporan
    • Bedriol
    • Mycosporan;
    • Bifazole;
    • Mycospor;
    • Bifonazole CRS
    • Bifonazole [USAN:INN:BAN:JAN]
    • Bifonazole (Standard)
    • CPD000058970
    • BIFONAZOLE [MI]
    • BIFONAZOLE [INN]
    • BIFONAZOLE [JAN]
    • Opera_ID_1656
    • Spectrum2_000035
    • Spectrum3_001970
    • (.+/-.)-Bifonazole
    • BIFONAZOLE [USAN]
    • Imidazole, 1-(alpha-(4-biphenylyl)benzyl)-
    • 1-(Biphenyl-4-yl-phenyl-methyl)-1H-imidazole
    • BIFONAZOLE [MART.]
    • cid_2378
    • BIFONAZOLE [WHO-DD]
    • SCHEMBL36803
    • BSPBio_003570
    • 5-23-04-00292 (Beilstein Handbook Reference)
    • MLS000759537
    • MLS001074074
    • MLS001424050
    • SPECTRUM1505309
    • SPBio_000129
    • Bifonazole - Bio-X trade mark
    • orb1309472
    • Bifonazole (JP18/USAN/INN)
    • BIFONAZOLE [EP IMPURITY]
    • Bifonazole, >=98% (HPLC)
    • Bifonazole for system suitability
    • CHEBI:78692
    • HY-B0301R
    • KBio3_002922
    • 1-(p,?-Diphenylbenzyl)imidazole
    • BIFONAZOLE [EP MONOGRAPH]
    • GLXC-01551
    • HMS1922B18
    • HMS2051F04
    • HMS2090K13
    • HMS2093B09
    • HMS2232J24
    • HMS3374H02
    • HMS3393F04
    • HMS3651G21
    • HMS3715L21
    • HMS5080M15
    • Pharmakon1600-01505309
    • BB_SC-12484
    • HY-B0301
    • MSK10152
    • Tox21_110850
    • BDBM50128548
    • CCG-39996
    • DL-338
    • EBC-01060
    • NSC758954
    • s1854
    • STK618771
    • Bifonazole for system suitability CRS
    • AKOS005553008
    • Tox21_110850_1
    • AB07497
    • CCG-100993
    • DB04794
    • FP36903
    • KS-5111
    • NC00243
    • NSC 758954
    • 60628-96-8

  • Applications

    Bifonazole (CAS 60628-96-8) is used as an active ingredient in topical antifungal formulations, typically in creams, gels, and pastes for skin applications. In the pharmaceutical industry it serves as the API in medicated skin products; in cosmetics and personal care it appears in medicated skin care items with antifungal activity; in household cleaning and industrial products it may be evaluated as an antifungal-active additive for surface care formulations; and in veterinary and industrial contexts it can be considered for formulations that control fungal growth on surfaces or substrates, in compliance with local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 31.03
    methanol 33.43
    isopropanol 15.36
    water 0.08
    ethyl acetate 16.41
    n-propanol 27.98
    acetone 72.18
    n-butanol 28.29
    acetonitrile 15.41
    DMF 127.26
    toluene 67.5
    isobutanol 24.88
    1,4-dioxane 100.05
    methyl acetate 21.93
    THF 418.05
    2-butanone 57.97
    n-pentanol 29.58
    sec-butanol 17.69
    n-hexane 0.95
    ethylene glycol 11.71
    NMP 64.66
    cyclohexane 1.97
    DMSO 147.4
    n-butyl acetate 11.07
    n-octanol 10.1
    chloroform 305.76
    n-propyl acetate 13.99
    acetic acid 27.02
    dichloromethane 401.0
    cyclohexanone 85.06
    propylene glycol 21.49
    isopropyl acetate 14.71
    DMAc 119.27
    2-ethoxyethanol 54.71
    isopentanol 24.81
    n-heptane 2.7
    ethyl formate 24.59
    1,2-dichloroethane 213.77
    n-hexanol 17.49
    2-methoxyethanol 77.03
    isobutyl acetate 18.1
    tetrachloromethane 12.74
    n-pentyl acetate 17.41
    transcutol 119.19
    n-heptanol 13.26
    ethylbenzene 23.3
    MIBK 36.62
    2-propoxyethanol 38.59
    tert-butanol 15.59
    MTBE 19.51
    2-butoxyethanol 28.53
    propionic acid 18.59
    o-xylene 19.64
    formic acid 11.93
    diethyl ether 23.28
    m-xylene 25.48
    p-xylene 21.2
    chlorobenzene 72.56
    dimethyl carbonate 33.26
    n-octane 1.66
    formamide 28.21
    cyclopentanone 187.56
    2-pentanone 43.62
    anisole 52.36
    cyclopentyl methyl ether 67.6
    gamma-butyrolactone 127.91
    1-methoxy-2-propanol 51.16
    pyridine 165.77
    3-pentanone 33.51
    furfural 115.3
    n-dodecane 1.66
    diethylene glycol 31.37
    diisopropyl ether 6.97
    tert-amyl alcohol 16.61
    acetylacetone 52.59
    n-hexadecane 1.92
    acetophenone 42.45
    methyl propionate 27.5
    isopentyl acetate 17.88
    trichloroethylene 392.2
    n-nonanol 11.99
    cyclohexanol 22.25
    benzyl alcohol 50.27
    2-ethylhexanol 13.29
    isooctanol 13.75
    dipropyl ether 22.58
    1,2-dichlorobenzene 59.74
    ethyl lactate 14.46
    propylene carbonate 44.41
    n-methylformamide 42.03
    2-pentanol 14.72
    n-pentane 0.97
    1-propoxy-2-propanol 23.2
    1-methoxy-2-propyl acetate 26.51
    2-(2-methoxypropoxy) propanol 35.84
    mesitylene 11.44
    ε-caprolactone 48.14
    p-cymene 12.58
    epichlorohydrin 341.78
    1,1,1-trichloroethane 74.96
    2-aminoethanol 24.69
    morpholine-4-carbaldehyde 77.85
    sulfolane 146.06
    2,2,4-trimethylpentane 1.7
    2-methyltetrahydrofuran 93.67
    n-hexyl acetate 21.1
    isooctane 1.2
    2-(2-butoxyethoxy)ethanol 48.56
    sec-butyl acetate 13.04
    tert-butyl acetate 22.16
    decalin 2.9
    glycerin 32.26
    diglyme 103.38
    acrylic acid 24.56
    isopropyl myristate 13.07
    n-butyric acid 27.22
    acetyl acetate 14.88
    di(2-ethylhexyl) phthalate 18.16
    ethyl propionate 15.17
    nitromethane 48.59
    1,2-diethoxyethane 34.96
    benzonitrile 40.06
    trioctyl phosphate 10.23
    1-bromopropane 67.29
    gamma-valerolactone 158.72
    n-decanol 9.66
    triethyl phosphate 12.86
    4-methyl-2-pentanol 13.09
    propionitrile 22.14
    vinylene carbonate 47.32
    1,1,2-trichlorotrifluoroethane 132.86
    DMS 22.96
    cumene 15.03
    2-octanol 8.22
    2-hexanone 30.09
    octyl acetate 15.19
    limonene 14.49
    1,2-dimethoxyethane 85.11
    ethyl orthosilicate 13.39
    tributyl phosphate 10.74
    diacetone alcohol 34.18
    N,N-dimethylaniline 32.32
    acrylonitrile 35.97
    aniline 61.15
    1,3-propanediol 32.28
    bromobenzene 84.05
    dibromomethane 184.36
    1,1,2,2-tetrachloroethane 259.83
    2-methyl-cyclohexyl acetate 21.27
    tetrabutyl urea 15.87
    diisobutyl methanol 10.26
    2-phenylethanol 32.09
    styrene 31.25
    dioctyl adipate 23.93
    dimethyl sulfate 51.53
    ethyl butyrate 15.18
    methyl lactate 24.19
    butyl lactate 16.44
    diethyl carbonate 12.05
    propanediol butyl ether 22.64
    triethyl orthoformate 15.48
    p-tert-butyltoluene 11.47
    methyl 4-tert-butylbenzoate 39.82
    morpholine 109.89
    tert-butylamine 9.02
    n-dodecanol 7.96
    dimethoxymethane 116.21
    ethylene carbonate 30.82
    cyrene 46.8
    2-ethoxyethyl acetate 31.87
    2-ethylhexyl acetate 14.22
    1,2,4-trichlorobenzene 75.14
    4-methylpyridine 90.7
    dibutyl ether 17.87
    2,6-dimethyl-4-heptanol 10.26
    DEF 37.35
    dimethyl isosorbide 68.09
    tetrachloroethylene 131.05
    eugenol 39.65
    triacetin 29.76
    span 80 27.24
    1,4-butanediol 16.68
    1,1-dichloroethane 94.18
    2-methyl-1-pentanol 28.35
    methyl formate 42.82
    2-methyl-1-butanol 25.61
    n-decane 2.67
    butyronitrile 26.08
    3,7-dimethyl-1-octanol 12.7
    1-chlorooctane 12.82
    1-chlorotetradecane 5.67
    n-nonane 2.19
    undecane 2.04
    tert-butylcyclohexane 2.64
    cyclooctane 0.98
    cyclopentanol 31.97
    tetrahydropyran 86.3
    tert-amyl methyl ether 19.03
    2,5,8-trioxanonane 69.33
    1-hexene 8.29
    2-isopropoxyethanol 34.42
    2,2,2-trifluoroethanol 10.7
    methyl butyrate 20.69

    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