4,4'-Difluorobenzophenone

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  • Identifiers

    CAS number
    345-92-6

    Molecular formula
    C13H8F2O

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

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Floral 72.21%
    Sweet 47.73%
    Neroli 41.89%
    Grape 39.42%
    Fruity 36.31%
    Honey 35.77%
    Phenolic 35.57%
    Orange 34.7%
    Powdery 34.02%
    Balsamic 32.94%

     

    Flavor
    Bitter 57.39%
    Mild 27.48%
    Phenolic 24.63%
    Balsam 23.94%
    Odorless 23.93%
    Honey 23.53%
    Fruity 23.48%
    Very strong 22.38%
    Nitrile 22.34%
    Powdery 22.32%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.8

    pKa est.
    6.02 (neutral)

    Molecular weight
    218.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    321°C

    Flash point

    • 139.4 ˚C est.

  • Synonyms

    • 4,4'-Difluorobenzophenone
    • 345-92-6
    • 88BNC11B9C
    • NSC-51800
    • DTXSID30188062
    • RefChem:96245
    • M-3-DFBP
    • DTXCID60110553
    • 206-466-3
    • Bis(4-fluorophenyl)methanone
    • bis(4-fluorophenyl)-methanone
    • Methanone, bis(4-fluorophenyl)-
    • Di-p-fluorophenyl ketone
    • p,p'-Difluorobenzophenone
    • MFCD00000353
    • Bis(4-fluorophenyl) ketone
    • Bis(p-fluorophenyl) ketone
    • NSC 51800
    • BENZOPHENONE, 4,4'-DIFLUORO-
    • 4,4'-difluorodiphenylmethanone
    • di4-fluorophenyl ketone
    • EINECS 206-466-3
    • BRN 0516231
    • UNII-88BNC11B9C
    • p-fluorophenyl ketone
    • rho-Fluorophenyl Ketone
    • p,p'-Difluorbenzophenon
    • 4,4'-Difluorobnzophenone
    • WLN: FR DVR DF
    • 4,4'-Diflourobenzophenone
    • Benzophenone,4'-difluoro-
    • EC 206-466-3
    • 4,4 '-difluorobenzophenone
    • 4-07-00-01374 (Beilstein Handbook Reference)
    • SCHEMBL238259
    • 4,4''-Difluorodiphenyl ketone
    • Bis-(4-fluoro-phenyl)methanone
    • 4,4'-Difluorobenzophenone, 99%
    • NSC51800
    • MSK157250
    • SBB057283
    • AKOS005063569
    • CCG-245138
    • EBC-495078
    • FD62650
    • AC-10924
    • DB-014390
    • CS-0015469
    • D1797
    • NS00011109
    • ST50307998
    • 4,4'-Difluorobenzophenone, analytical standard
    • D72510
    • EN300-118179
    • 345D926
    • AE-848/31937058
    • F002692
    • Q4637051
    • 4,4'-Difluorobenzophenone, TraceCERT(R), certified reference material, 19F-qNMR Standard
    • 345-92-6

  • Applications

    4,4'-Difluorobenzophenone, CAS number: 345-92-6 is primarily used as a versatile aryl ketone intermediate in chemical synthesis, serving as a building block for difluorinated benzophenone derivatives used in pharmaceutical and agrochemical development; it is commonly employed as a precursor to fluorinated aryl ketones for advanced materials, including specialty polymers and electronics materials; it can be converted into UV-curing photoinitiators or crosslinking agents for coatings and inks; and it can participate in cross-coupling or functionalization steps to diversify aryl ketone scaffolds for various industrial applications.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 38.05
    methanol 37.81
    isopropanol 31.15
    water 0.11
    ethyl acetate 291.44
    n-propanol 37.31
    acetone 376.43
    n-butanol 34.37
    acetonitrile 190.23
    DMF 671.86
    toluene 104.53
    isobutanol 29.1
    1,4-dioxane 343.44
    methyl acetate 360.72
    THF 444.19
    2-butanone 368.31
    n-pentanol 41.81
    sec-butanol 54.62
    n-hexane 5.45
    ethylene glycol 19.12
    NMP 508.85
    cyclohexane 3.78
    DMSO 743.05
    n-butyl acetate 199.8
    n-octanol 24.04
    chloroform 424.11
    n-propyl acetate 211.74
    acetic acid 127.86
    dichloromethane 493.2
    cyclohexanone 310.51
    propylene glycol 24.25
    isopropyl acetate 178.63
    DMAc 751.83
    2-ethoxyethanol 168.85
    isopentanol 44.33
    n-heptane 5.25
    ethyl formate 154.57
    1,2-dichloroethane 345.75
    n-hexanol 39.2
    2-methoxyethanol 182.73
    isobutyl acetate 92.9
    tetrachloromethane 26.9
    n-pentyl acetate 100.98
    transcutol 1114.93
    n-heptanol 22.2
    ethylbenzene 78.83
    MIBK 137.98
    2-propoxyethanol 140.34
    tert-butanol 63.86
    MTBE 154.93
    2-butoxyethanol 90.71
    propionic acid 108.56
    o-xylene 85.91
    formic acid 68.98
    diethyl ether 131.91
    m-xylene 67.18
    p-xylene 84.19
    chlorobenzene 116.53
    dimethyl carbonate 198.06
    n-octane 1.86
    formamide 288.01
    cyclopentanone 441.88
    2-pentanone 232.99
    anisole 283.49
    cyclopentyl methyl ether 167.01
    gamma-butyrolactone 575.63
    1-methoxy-2-propanol 157.19
    pyridine 313.69
    3-pentanone 232.69
    furfural 544.15
    n-dodecane 2.16
    diethylene glycol 126.73
    diisopropyl ether 52.37
    tert-amyl alcohol 90.37
    acetylacetone 450.73
    n-hexadecane 2.65
    acetophenone 277.98
    methyl propionate 267.58
    isopentyl acetate 161.62
    trichloroethylene 755.55
    n-nonanol 25.92
    cyclohexanol 44.56
    benzyl alcohol 133.18
    2-ethylhexanol 38.6
    isooctanol 22.81
    dipropyl ether 89.06
    1,2-dichlorobenzene 140.23
    ethyl lactate 110.9
    propylene carbonate 270.37
    n-methylformamide 274.33
    2-pentanol 38.43
    n-pentane 3.09
    1-propoxy-2-propanol 118.54
    1-methoxy-2-propyl acetate 257.93
    2-(2-methoxypropoxy) propanol 204.1
    mesitylene 42.3
    ε-caprolactone 312.05
    p-cymene 42.89
    epichlorohydrin 639.59
    1,1,1-trichloroethane 213.44
    2-aminoethanol 35.07
    morpholine-4-carbaldehyde 600.51
    sulfolane 653.96
    2,2,4-trimethylpentane 5.99
    2-methyltetrahydrofuran 273.35
    n-hexyl acetate 143.1
    isooctane 3.75
    2-(2-butoxyethoxy)ethanol 227.2
    sec-butyl acetate 154.58
    tert-butyl acetate 206.79
    decalin 8.95
    glycerin 51.41
    diglyme 594.23
    acrylic acid 136.21
    isopropyl myristate 61.18
    n-butyric acid 102.27
    acetyl acetate 227.49
    di(2-ethylhexyl) phthalate 53.6
    ethyl propionate 209.33
    nitromethane 658.95
    1,2-diethoxyethane 314.44
    benzonitrile 180.08
    trioctyl phosphate 33.64
    1-bromopropane 121.34
    gamma-valerolactone 603.54
    n-decanol 20.43
    triethyl phosphate 99.95
    4-methyl-2-pentanol 30.84
    propionitrile 127.83
    vinylene carbonate 252.77
    1,1,2-trichlorotrifluoroethane 372.22
    DMS 256.76
    cumene 48.16
    2-octanol 17.61
    2-hexanone 192.46
    octyl acetate 73.31
    limonene 52.74
    1,2-dimethoxyethane 454.85
    ethyl orthosilicate 86.38
    tributyl phosphate 59.9
    diacetone alcohol 199.11
    N,N-dimethylaniline 156.08
    acrylonitrile 228.14
    aniline 120.73
    1,3-propanediol 51.87
    bromobenzene 119.12
    dibromomethane 251.12
    1,1,2,2-tetrachloroethane 508.11
    2-methyl-cyclohexyl acetate 121.37
    tetrabutyl urea 81.84
    diisobutyl methanol 33.56
    2-phenylethanol 104.81
    styrene 103.69
    dioctyl adipate 116.24
    dimethyl sulfate 363.27
    ethyl butyrate 175.04
    methyl lactate 140.02
    butyl lactate 94.12
    diethyl carbonate 138.12
    propanediol butyl ether 95.3
    triethyl orthoformate 126.94
    p-tert-butyltoluene 39.33
    methyl 4-tert-butylbenzoate 162.89
    morpholine 315.06
    tert-butylamine 36.22
    n-dodecanol 16.64
    dimethoxymethane 321.81
    ethylene carbonate 189.3
    cyrene 169.28
    2-ethoxyethyl acetate 228.06
    2-ethylhexyl acetate 131.07
    1,2,4-trichlorobenzene 190.74
    4-methylpyridine 314.28
    dibutyl ether 84.52
    2,6-dimethyl-4-heptanol 33.56
    DEF 344.37
    dimethyl isosorbide 346.13
    tetrachloroethylene 260.31
    eugenol 154.86
    triacetin 261.01
    span 80 110.0
    1,4-butanediol 30.79
    1,1-dichloroethane 228.65
    2-methyl-1-pentanol 53.79
    methyl formate 243.17
    2-methyl-1-butanol 43.87
    n-decane 3.22
    butyronitrile 99.24
    3,7-dimethyl-1-octanol 39.83
    1-chlorooctane 22.76
    1-chlorotetradecane 10.11
    n-nonane 2.68
    undecane 2.62
    tert-butylcyclohexane 8.24
    cyclooctane 2.21
    cyclopentanol 53.74
    tetrahydropyran 177.06
    tert-amyl methyl ether 147.36
    2,5,8-trioxanonane 389.21
    1-hexene 32.86
    2-isopropoxyethanol 131.26
    2,2,2-trifluoroethanol 103.72
    methyl butyrate 253.58

    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