1,4-Difluorobenzene

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  • Identifiers

    CAS number
    540-36-3

    Molecular formula
    C6H4F2

    SMILES
    C1=CC(=CC=C1F)F

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Floral 54.79%
    Phenolic 44.19%
    Sweet 38.4%
    Animal 37.58%
    Woody 32.32%
    Burnt 28.46%
    Fruity 27.35%
    Medicinal 26.81%
    Musty 26.73%
    Smoky 25.56%

     

    Flavor
    Meaty 32.09%
    Phenolic 31.81%
    Sulfurous 30.35%
    Egg 24.6%
    Garlic 24.4%
    Mild 23.87%
    Onion 22.74%
    Penetrating 22.49%
    Medicinal 22.32%
    Fishy 22.1%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.2

    pKa est.
    4.34 (weak acid)

    Molecular weight
    114.09 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    84°C

    Flash point

    • 28.75 ˚C est.

  • Synonyms

    • 1,4-DIFLUOROBENZENE
    • 540-36-3
    • p-Difluorobenzene
    • Benzene, 1,4-difluoro-
    • para-Difluorobenzene
    • Benzene, p-difluoro-
    • 2,5-difluorobenzene
    • 1,4-Difluorbenzol
    • UNII-Y9FQ2EF0Z6
    • EINECS 208-742-9
    • Y9FQ2EF0Z6
    • NSC 10286
    • CHEBI:38585
    • MFCD00000344
    • NSC-10286
    • P-DIFLUOROBENZENE [MI]
    • DTXSID1075432
    • QUGUFLJIAFISSW-UHFFFAOYSA-
    • 1,4-Difluoro-benzene
    • pDifluorobenzene
    • paraDifluorobenzene
    • Benzene, pdifluoro
    • Benzene,4-difluoro-
    • Benzene, 1,4difluoro
    • WLN: FR DF
    • 1,4-bis(fluoranyl)benzene
    • SCHEMBL13499
    • Benzene, 1,4difluoro (9CI)
    • CHEMBL496192
    • DTXCID0041563
    • 1,4-Difluorobenzene, >=99%
    • NSC10286
    • AKOS000120883
    • DS-3203
    • 1,4-Difluorobenzene, analytical standard
    • DB-020072
    • DB-052463
    • D1628
    • NS00043113
    • EN300-20356
    • 1,4-Difluorobenzene 2000 microg/mL in Methanol
    • A829919
    • Q27117911
    • F0001-1411

  • Applications

    1,4-Difluorobenzene (CAS 540-36-3) is primarily used as an organic synthesis intermediate. It serves as a versatile building block for difluoroaryl compounds employed as intermediates in pharmaceutical and agrochemical development. It is also used in the production of specialty polymers and fluorinated materials for coatings and electronic applications, enabling aryl–aryl coupling and fluorination steps. Additionally, difluorobenzene derivatives are used as starting materials for fluorinated aromatic compounds in research and development, with regulatory and formulation constraints considered.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 189.92
    methanol 312.4
    isopropanol 127.7
    water 11.36
    ethyl acetate 297.99
    n-propanol 115.4
    acetone 404.39
    n-butanol 85.94
    acetonitrile 732.31
    DMF 413.51
    toluene 59.01
    isobutanol 78.85
    1,4-dioxane 356.99
    methyl acetate 564.97
    THF 231.7
    2-butanone 332.36
    n-pentanol 81.6
    sec-butanol 125.63
    n-hexane 16.53
    ethylene glycol 44.55
    NMP 265.86
    cyclohexane 8.18
    DMSO 488.01
    n-butyl acetate 114.16
    n-octanol 56.75
    chloroform 382.68
    n-propyl acetate 201.65
    acetic acid 228.25
    dichloromethane 512.16
    cyclohexanone 152.62
    propylene glycol 33.76
    isopropyl acetate 144.72
    DMAc 649.02
    2-ethoxyethanol 278.9
    isopentanol 87.05
    n-heptane 12.01
    ethyl formate 226.0
    1,2-dichloroethane 260.32
    n-hexanol 50.9
    2-methoxyethanol 294.8
    isobutyl acetate 85.04
    tetrachloromethane 69.01
    n-pentyl acetate 93.46
    transcutol 620.62
    n-heptanol 39.17
    ethylbenzene 78.17
    MIBK 103.36
    2-propoxyethanol 124.98
    tert-butanol 145.29
    MTBE 201.7
    2-butoxyethanol 104.84
    propionic acid 156.53
    o-xylene 69.45
    formic acid 162.75
    diethyl ether 193.69
    m-xylene 44.63
    p-xylene 98.71
    chlorobenzene 75.95
    dimethyl carbonate 128.8
    n-octane 7.59
    formamide 545.52
    cyclopentanone 199.26
    2-pentanone 164.71
    anisole 283.57
    cyclopentyl methyl ether 98.0
    gamma-butyrolactone 324.79
    1-methoxy-2-propanol 164.75
    pyridine 291.25
    3-pentanone 156.22
    furfural 356.34
    n-dodecane 7.03
    diethylene glycol 108.01
    diisopropyl ether 57.08
    tert-amyl alcohol 165.87
    acetylacetone 248.31
    n-hexadecane 7.65
    acetophenone 248.01
    methyl propionate 223.81
    isopentyl acetate 100.33
    trichloroethylene 459.1
    n-nonanol 51.9
    cyclohexanol 51.83
    benzyl alcohol 129.41
    2-ethylhexanol 43.79
    isooctanol 37.15
    dipropyl ether 69.92
    1,2-dichlorobenzene 97.05
    ethyl lactate 75.57
    propylene carbonate 163.58
    n-methylformamide 353.82
    2-pentanol 70.54
    n-pentane 12.37
    1-propoxy-2-propanol 82.85
    1-methoxy-2-propyl acetate 125.42
    2-(2-methoxypropoxy) propanol 170.17
    mesitylene 32.62
    ε-caprolactone 198.61
    p-cymene 40.9
    epichlorohydrin 398.48
    1,1,1-trichloroethane 211.53
    2-aminoethanol 83.74
    morpholine-4-carbaldehyde 447.1
    sulfolane 240.92
    2,2,4-trimethylpentane 13.01
    2-methyltetrahydrofuran 208.27
    n-hexyl acetate 134.16
    isooctane 7.07
    2-(2-butoxyethoxy)ethanol 194.06
    sec-butyl acetate 123.58
    tert-butyl acetate 144.74
    decalin 13.36
    glycerin 53.97
    diglyme 517.05
    acrylic acid 147.48
    isopropyl myristate 60.52
    n-butyric acid 128.08
    acetyl acetate 207.51
    di(2-ethylhexyl) phthalate 48.77
    ethyl propionate 173.95
    nitromethane 960.2
    1,2-diethoxyethane 227.51
    benzonitrile 176.89
    trioctyl phosphate 31.87
    1-bromopropane 131.02
    gamma-valerolactone 367.88
    n-decanol 39.08
    triethyl phosphate 73.42
    4-methyl-2-pentanol 47.85
    propionitrile 285.63
    vinylene carbonate 175.75
    1,1,2-trichlorotrifluoroethane 247.52
    DMS 171.75
    cumene 55.36
    2-octanol 35.03
    2-hexanone 174.39
    octyl acetate 71.27
    limonene 42.64
    1,2-dimethoxyethane 587.84
    ethyl orthosilicate 66.71
    tributyl phosphate 52.01
    diacetone alcohol 142.34
    N,N-dimethylaniline 171.7
    acrylonitrile 417.46
    aniline 86.22
    1,3-propanediol 107.45
    bromobenzene 77.92
    dibromomethane 268.26
    1,1,2,2-tetrachloroethane 273.85
    2-methyl-cyclohexyl acetate 84.09
    tetrabutyl urea 72.45
    diisobutyl methanol 36.57
    2-phenylethanol 84.29
    styrene 95.31
    dioctyl adipate 91.15
    dimethyl sulfate 204.86
    ethyl butyrate 114.09
    methyl lactate 92.48
    butyl lactate 63.8
    diethyl carbonate 105.24
    propanediol butyl ether 89.19
    triethyl orthoformate 83.12
    p-tert-butyltoluene 34.76
    methyl 4-tert-butylbenzoate 124.51
    morpholine 314.91
    tert-butylamine 90.51
    n-dodecanol 30.24
    dimethoxymethane 253.34
    ethylene carbonate 137.1
    cyrene 131.48
    2-ethoxyethyl acetate 180.46
    2-ethylhexyl acetate 82.54
    1,2,4-trichlorobenzene 123.58
    4-methylpyridine 261.84
    dibutyl ether 98.83
    2,6-dimethyl-4-heptanol 36.57
    DEF 261.51
    dimethyl isosorbide 249.56
    tetrachloroethylene 201.18
    eugenol 130.84
    triacetin 195.93
    span 80 88.67
    1,4-butanediol 56.94
    1,1-dichloroethane 241.55
    2-methyl-1-pentanol 91.74
    methyl formate 271.75
    2-methyl-1-butanol 87.02
    n-decane 11.29
    butyronitrile 188.58
    3,7-dimethyl-1-octanol 63.57
    1-chlorooctane 40.51
    1-chlorotetradecane 17.63
    n-nonane 10.66
    undecane 8.62
    tert-butylcyclohexane 14.31
    cyclooctane 4.94
    cyclopentanol 58.59
    tetrahydropyran 143.4
    tert-amyl methyl ether 169.56
    2,5,8-trioxanonane 338.97
    1-hexene 54.8
    2-isopropoxyethanol 177.11
    2,2,2-trifluoroethanol 161.76
    methyl butyrate 227.09

    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