Fluorophene

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  • Identifiers

    CAS number
    4776-06-1

    Molecular formula
    C14H8Br2F3NO2

    SMILES
    C1=CC(=CC(=C1)NC(=O)C2=C(C(=CC(=C2)Br)Br)O)C(F)(F)F

    Safety labels

  • Odor profile

    Fragrance
    Odorless 52.72%
    Fruity 27.14%
    Savory 25.87%
    Grape 24.96%
    Animal 21.67%
    Cooling 21.4%
    Meaty 21.04%
    Bitter 20.88%
    Cooked 20.25%
    Milky 19.44%

     

    Flavor
    Bitter 69.23%
    Odorless 46.0%
    Mild 27.78%
    Bland 25.22%
    Sweet-like 20.26%
    Nitrile 19.9%
    Very strong 18.83%
    Orange flower 18.82%
    Scallion 18.69%
    Indole 18.65%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.2

    pKa est.
    7.94 (neutral)

    Molecular weight
    439.02 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    464°C

    Flash point

    • 175.88 ˚C est.

  • Synonyms

    • Fluorophene
    • 3,5-Dibromo-3'-trifluoromethylsalicylanilide
    • RefChem:140966
    • FLUOROSALAN
    • Flusalan
    • 4776-06-1
    • Fluorsalan
    • Vancide FP
    • 3,5-dibromo-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide
    • Fluorosalan [USAN]
    • Flusalan [INN]
    • 3,5-Dibromo-3'-(trifluoromethyl)salicylanilide
    • DTXSID0041985
    • 80OFG3WPYD
    • NSC-166520
    • CHEMBL283552
    • Flusalan (INN)
    • NSC166520
    • Fluorosalan (USAN)
    • NCGC00181143-01
    • 3,5-Dibromo-2-hydroxy-N-(3-(trifluoromethyl)phenyl)benzamide
    • Benzamide, 3,5-dibromo-2-hydroxy-N-(3-(trifluoromethyl)phenyl)-
    • DTXCID8021985
    • Flusalanum
    • 3,5-Dibromo-.alpha.,.alpha.,.alpha.-trifluoro-m-salicylotoluidide
    • CAS-4776-06-1
    • Caswell No. 290
    • Flusalanum [INN-Latin]
    • EINECS 225-322-0
    • EPA Pesticide Chemical Code 027601
    • NSC 166520
    • BRN 1155294
    • FLUOROSALAN [MI]
    • UNII-80OFG3WPYD
    • 3,5-Dibromo-3'-(triflouromethyl)salicylanilide
    • C14H8Br2F3NO2
    • SCHEMBL374268
    • SCHEMBL10005003
    • SCHEMBL29484458
    • SCHEMBL30288529
    • SCHEMBL30318966
    • 3,5-Dibromo-alpha,alpha,alpha-trifluoro-m-salicylotoluidide
    • CHEBI:135715
    • m-Salicylotoluidide, 3,5-dibromo-alpha,alpha,alpha-trifluoro-
    • EAA77606
    • Tox21_112749
    • Tox21_302424
    • BDBM50027790
    • NCGC00181143-02
    • NCGC00255963-01
    • NCI60_001302
    • NS00046637
    • D04222
    • 3,.alpha.,.alpha.-trifluoro-m-salicylotoluidide
    • SR-01000944883
    • SR-01000944883-1
    • Q27269166
    • 3,5-Dibromo-2-hydroxy-N-(3-trifluoromethyl-phenyl)-benzamide
    • Benzamide,5-dibromo-2-hydroxy-N-[3-(trifluoromethyl)phenyl]-
    • m-Salicylotoluidide,5-dibromo-.alpha.,.alpha.,.alpha.-trifluoro-
    • 3,5-Dibromo-2-hydroxy-N-(3-trifluoromethyl-phenyl)-benzamide(fluorophen)
    • Benzamide, 3, {5-dibromo-2-hydroxy-N-[3-(trifluoromethyl)phenyl]-}
    • m-Salicylotoluidide, 3,5-dibromo-.alpha.,.alpha., .alpha.-trifluoro-
    • 4776-06-1

  • Applications

    Fluorophene (CAS 4776-06-1) is primarily used as an industrial intermediate and specialty chemical. It is commonly employed as a starting material for the synthesis of fluorinated aromatic compounds and related polymers, and can also serve as a solvent or processing aid in various manufacturing formulations. It may function as a feedstock for coatings, inks, and adhesive systems, offering performance advantages in fluorinated matrices. In electronics-related material development, it can be a precursor or processing solvent for fluorinated polymers and specialty resins. It is also occasionally encountered as a laboratory reagent or a research starting material for synthetic routes involving aromatic and fluorinated moieties.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4.47
    methanol 3.44
    isopropanol 2.72
    water 0.0
    ethyl acetate 19.44
    n-propanol 4.84
    acetone 13.11
    n-butanol 4.82
    acetonitrile 4.77
    DMF 26.87
    toluene 11.05
    isobutanol 2.92
    1,4-dioxane 23.17
    methyl acetate 14.2
    THF 99.23
    2-butanone 23.21
    n-pentanol 4.82
    sec-butanol 4.96
    n-hexane 0.23
    ethylene glycol 0.49
    NMP 33.76
    cyclohexane 0.2
    DMSO 14.47
    n-butyl acetate 20.51
    n-octanol 7.41
    chloroform 11.3
    n-propyl acetate 17.21
    acetic acid 4.59
    dichloromethane 9.23
    cyclohexanone 23.93
    propylene glycol 1.08
    isopropyl acetate 16.92
    DMAc 47.26
    2-ethoxyethanol 18.1
    isopentanol 4.76
    n-heptane 0.64
    ethyl formate 7.82
    1,2-dichloroethane 6.33
    n-hexanol 8.22
    2-methoxyethanol 22.37
    isobutyl acetate 8.58
    tetrachloromethane 0.63
    n-pentyl acetate 18.61
    transcutol 51.83
    n-heptanol 7.29
    ethylbenzene 5.81
    MIBK 15.22
    2-propoxyethanol 35.23
    tert-butanol 4.68
    MTBE 10.18
    2-butoxyethanol 21.75
    propionic acid 4.02
    o-xylene 7.28
    formic acid 1.94
    diethyl ether 12.71
    m-xylene 7.28
    p-xylene 4.89
    chlorobenzene 4.03
    dimethyl carbonate 10.01
    n-octane 0.39
    formamide 4.85
    cyclopentanone 37.56
    2-pentanone 22.93
    anisole 17.58
    cyclopentyl methyl ether 22.76
    gamma-butyrolactone 35.38
    1-methoxy-2-propanol 20.96
    pyridine 23.27
    3-pentanone 17.18
    furfural 29.67
    n-dodecane 0.54
    diethylene glycol 13.75
    diisopropyl ether 4.23
    tert-amyl alcohol 6.83
    acetylacetone 27.76
    n-hexadecane 0.63
    acetophenone 18.33
    methyl propionate 18.72
    isopentyl acetate 17.61
    trichloroethylene 16.76
    n-nonanol 8.27
    cyclohexanol 4.41
    benzyl alcohol 9.34
    2-ethylhexanol 7.26
    isooctanol 6.16
    dipropyl ether 14.29
    1,2-dichlorobenzene 4.23
    ethyl lactate 9.58
    propylene carbonate 15.39
    n-methylformamide 9.63
    2-pentanol 4.54
    n-pentane 0.32
    1-propoxy-2-propanol 26.66
    1-methoxy-2-propyl acetate 35.15
    2-(2-methoxypropoxy) propanol 26.45
    mesitylene 3.65
    ε-caprolactone 26.27
    p-cymene 5.97
    epichlorohydrin 43.27
    1,1,1-trichloroethane 4.96
    2-aminoethanol 2.1
    morpholine-4-carbaldehyde 42.52
    sulfolane 27.24
    2,2,4-trimethylpentane 0.41
    2-methyltetrahydrofuran 34.41
    n-hexyl acetate 19.69
    isooctane 0.26
    2-(2-butoxyethoxy)ethanol 31.05
    sec-butyl acetate 14.38
    tert-butyl acetate 22.7
    decalin 0.41
    glycerin 2.35
    diglyme 50.77
    acrylic acid 3.52
    isopropyl myristate 10.46
    n-butyric acid 7.84
    acetyl acetate 10.07
    di(2-ethylhexyl) phthalate 9.44
    ethyl propionate 18.31
    nitromethane 17.06
    1,2-diethoxyethane 25.85
    benzonitrile 9.89
    trioctyl phosphate 6.67
    1-bromopropane 6.57
    gamma-valerolactone 57.7
    n-decanol 6.27
    triethyl phosphate 8.57
    4-methyl-2-pentanol 3.89
    propionitrile 7.04
    vinylene carbonate 11.84
    1,1,2-trichlorotrifluoroethane 19.79
    DMS 14.73
    cumene 3.6
    2-octanol 6.59
    2-hexanone 19.16
    octyl acetate 12.49
    limonene 7.29
    1,2-dimethoxyethane 41.36
    ethyl orthosilicate 8.61
    tributyl phosphate 7.56
    diacetone alcohol 23.12
    N,N-dimethylaniline 12.73
    acrylonitrile 9.22
    aniline 8.13
    1,3-propanediol 4.1
    bromobenzene 3.93
    dibromomethane 6.19
    1,1,2,2-tetrachloroethane 11.85
    2-methyl-cyclohexyl acetate 16.0
    tetrabutyl urea 15.07
    diisobutyl methanol 5.22
    2-phenylethanol 16.62
    styrene 5.8
    dioctyl adipate 13.88
    dimethyl sulfate 12.28
    ethyl butyrate 18.14
    methyl lactate 10.93
    butyl lactate 15.45
    diethyl carbonate 9.64
    propanediol butyl ether 14.46
    triethyl orthoformate 15.0
    p-tert-butyltoluene 5.81
    methyl 4-tert-butylbenzoate 21.91
    morpholine 29.14
    tert-butylamine 2.5
    n-dodecanol 4.62
    dimethoxymethane 35.68
    ethylene carbonate 9.2
    cyrene 23.28
    2-ethoxyethyl acetate 27.71
    2-ethylhexyl acetate 14.84
    1,2,4-trichlorobenzene 6.38
    4-methylpyridine 22.69
    dibutyl ether 10.38
    2,6-dimethyl-4-heptanol 5.22
    DEF 27.85
    dimethyl isosorbide 48.96
    tetrachloroethylene 6.18
    eugenol 23.41
    triacetin 18.71
    span 80 19.04
    1,4-butanediol 1.47
    1,1-dichloroethane 5.2
    2-methyl-1-pentanol 5.76
    methyl formate 8.0
    2-methyl-1-butanol 5.05
    n-decane 0.85
    butyronitrile 8.03
    3,7-dimethyl-1-octanol 6.78
    1-chlorooctane 4.09
    1-chlorotetradecane 1.9
    n-nonane 0.64
    undecane 0.67
    tert-butylcyclohexane 0.45
    cyclooctane 0.17
    cyclopentanol 5.43
    tetrahydropyran 19.23
    tert-amyl methyl ether 13.89
    2,5,8-trioxanonane 38.56
    1-hexene 2.17
    2-isopropoxyethanol 12.74
    2,2,2-trifluoroethanol 1.94
    methyl butyrate 19.44

    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