(2,4-Difluorophenyl)(4-fluorophenyl)methanone

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  • Identifiers

    CAS number
    80512-44-3

    Molecular formula
    C13H7F3O

    SMILES
    C1=CC(=CC=C1C(=O)C2=C(C=C(C=C2)F)F)F

    Safety labels

  • Odor profile

    Fragrance
    Floral 50.22%
    Fruity 42.44%
    Grape 42.0%
    Sweet 39.46%
    Neroli 34.92%
    Phenolic 31.26%
    Animal 30.5%
    Orange 30.28%
    Powdery 28.25%
    Honey 26.47%

     

    Flavor
    Bitter 72.32%
    Odorless 30.44%
    Mild 25.7%
    Very strong 21.31%
    Nitrile 21.14%
    Indole 20.88%
    Orange flower 20.6%
    Orange blossom 19.85%
    Bread crust 19.25%
    Moth ball 19.22%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.4

    pKa est.
    5.99 (weak acid)

    Molecular weight
    236.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    328°C

    Flash point

    • 140.11 ˚C est.

  • Synonyms

    • (2,4-difluorophenyl)(4-fluorophenyl)methanone
    • RefChem:394590
    • 813-638-7
    • 2,4,4'-Trifluorobenzophenone
    • 80512-44-3
    • D38JC45754
    • UNII-D38JC45754
    • Methanone, (2,4-difluorophenyl)(4-fluorophenyl)-
    • SCHEMBL8609990
    • SCHEMBL29880739
    • DTXSID001019779
    • Q27276039
    • 80512-44-3

  • Applications

    (2,4-Difluorophenyl)(4-fluorophenyl)methanone (CAS 80512-44-3) is primarily used as an organic synthesis intermediate, serving as a building block in pharmaceutical and agrochemical development; it can also act as a precursor for advanced materials, including liquid-crystal materials and electronic components, and find use in coatings and inks as a reactive aryl ketone intermediate; its application depends on formulation needs and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 137.58
    methanol 194.28
    isopropanol 98.68
    water 0.17
    ethyl acetate 391.62
    n-propanol 116.21
    acetone 632.49
    n-butanol 95.25
    acetonitrile 411.08
    DMF 525.63
    toluene 73.6
    isobutanol 84.59
    1,4-dioxane 390.36
    methyl acetate 468.83
    THF 731.59
    2-butanone 466.88
    n-pentanol 104.18
    sec-butanol 118.73
    n-hexane 2.65
    ethylene glycol 50.76
    NMP 366.69
    cyclohexane 1.82
    DMSO 1023.5
    n-butyl acetate 225.39
    n-octanol 57.54
    chloroform 215.05
    n-propyl acetate 286.22
    acetic acid 194.7
    dichloromethane 306.15
    cyclohexanone 270.83
    propylene glycol 63.75
    isopropyl acetate 224.34
    DMAc 557.84
    2-ethoxyethanol 326.08
    isopentanol 107.99
    n-heptane 4.97
    ethyl formate 236.84
    1,2-dichloroethane 232.82
    n-hexanol 71.93
    2-methoxyethanol 410.68
    isobutyl acetate 120.12
    tetrachloromethane 11.82
    n-pentyl acetate 119.57
    transcutol 1731.77
    n-heptanol 41.63
    ethylbenzene 60.7
    MIBK 187.35
    2-propoxyethanol 267.69
    tert-butanol 165.57
    MTBE 171.69
    2-butoxyethanol 148.8
    propionic acid 158.75
    o-xylene 58.86
    formic acid 110.41
    diethyl ether 181.08
    m-xylene 56.25
    p-xylene 62.46
    chlorobenzene 65.98
    dimethyl carbonate 212.42
    n-octane 2.17
    formamide 386.2
    cyclopentanone 414.88
    2-pentanone 307.24
    anisole 272.22
    cyclopentyl methyl ether 196.46
    gamma-butyrolactone 567.95
    1-methoxy-2-propanol 321.39
    pyridine 262.05
    3-pentanone 231.9
    furfural 439.87
    n-dodecane 4.56
    diethylene glycol 271.2
    diisopropyl ether 61.46
    tert-amyl alcohol 169.23
    acetylacetone 497.93
    n-hexadecane 5.26
    acetophenone 248.34
    methyl propionate 299.31
    isopentyl acetate 173.01
    trichloroethylene 390.32
    n-nonanol 58.76
    cyclohexanol 74.08
    benzyl alcohol 162.27
    2-ethylhexanol 63.08
    isooctanol 40.42
    dipropyl ether 116.47
    1,2-dichlorobenzene 75.05
    ethyl lactate 159.25
    propylene carbonate 277.46
    n-methylformamide 365.17
    2-pentanol 84.89
    n-pentane 2.44
    1-propoxy-2-propanol 206.07
    1-methoxy-2-propyl acetate 293.76
    2-(2-methoxypropoxy) propanol 295.4
    mesitylene 34.73
    ε-caprolactone 279.11
    p-cymene 45.65
    epichlorohydrin 658.26
    1,1,1-trichloroethane 135.18
    2-aminoethanol 98.27
    morpholine-4-carbaldehyde 526.96
    sulfolane 532.11
    2,2,4-trimethylpentane 5.29
    2-methyltetrahydrofuran 335.06
    n-hexyl acetate 181.26
    isooctane 4.24
    2-(2-butoxyethoxy)ethanol 390.27
    sec-butyl acetate 185.67
    tert-butyl acetate 239.65
    decalin 6.86
    glycerin 113.12
    diglyme 699.86
    acrylic acid 158.92
    isopropyl myristate 91.56
    n-butyric acid 155.85
    acetyl acetate 274.3
    di(2-ethylhexyl) phthalate 75.55
    ethyl propionate 269.14
    nitromethane 793.78
    1,2-diethoxyethane 395.93
    benzonitrile 178.3
    trioctyl phosphate 53.53
    1-bromopropane 88.78
    gamma-valerolactone 529.96
    n-decanol 49.23
    triethyl phosphate 102.79
    4-methyl-2-pentanol 65.82
    propionitrile 236.99
    vinylene carbonate 242.88
    1,1,2-trichlorotrifluoroethane 317.91
    DMS 242.97
    cumene 44.65
    2-octanol 33.05
    2-hexanone 249.0
    octyl acetate 109.63
    limonene 54.3
    1,2-dimethoxyethane 604.61
    ethyl orthosilicate 88.99
    tributyl phosphate 84.0
    diacetone alcohol 290.37
    N,N-dimethylaniline 146.19
    acrylonitrile 339.97
    aniline 111.33
    1,3-propanediol 131.7
    bromobenzene 59.82
    dibromomethane 139.57
    1,1,2,2-tetrachloroethane 281.86
    2-methyl-cyclohexyl acetate 135.88
    tetrabutyl urea 112.22
    diisobutyl methanol 52.11
    2-phenylethanol 137.5
    styrene 76.69
    dioctyl adipate 147.73
    dimethyl sulfate 292.4
    ethyl butyrate 206.76
    methyl lactate 202.34
    butyl lactate 130.73
    diethyl carbonate 161.97
    propanediol butyl ether 188.99
    triethyl orthoformate 137.18
    p-tert-butyltoluene 41.28
    methyl 4-tert-butylbenzoate 173.12
    morpholine 394.68
    tert-butylamine 74.16
    n-dodecanol 39.6
    dimethoxymethane 490.19
    ethylene carbonate 193.82
    cyrene 219.89
    2-ethoxyethyl acetate 252.49
    2-ethylhexyl acetate 132.58
    1,2,4-trichlorobenzene 106.35
    4-methylpyridine 233.28
    dibutyl ether 129.45
    2,6-dimethyl-4-heptanol 52.11
    DEF 314.35
    dimethyl isosorbide 450.18
    tetrachloroethylene 125.94
    eugenol 185.67
    triacetin 268.95
    span 80 173.85
    1,4-butanediol 68.8
    1,1-dichloroethane 157.58
    2-methyl-1-pentanol 103.71
    methyl formate 355.78
    2-methyl-1-butanol 103.4
    n-decane 5.78
    butyronitrile 186.14
    3,7-dimethyl-1-octanol 71.8
    1-chlorooctane 34.18
    1-chlorotetradecane 18.69
    n-nonane 4.42
    undecane 5.15
    tert-butylcyclohexane 7.04
    cyclooctane 1.25
    cyclopentanol 92.31
    tetrahydropyran 200.45
    tert-amyl methyl ether 162.61
    2,5,8-trioxanonane 521.57
    1-hexene 28.26
    2-isopropoxyethanol 216.23
    2,2,2-trifluoroethanol 109.24
    methyl butyrate 307.61

    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