Fluorobenzene

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  • Identifiers

    CAS number
    462-06-6

    Molecular formula
    C6H5F

    SMILES
    C1=CC=C(C=C1)F

    Safety labels

    Flammable
    Flammable

    Corrosive
    Corrosive

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Floral 64.08%
    Sweet 48.87%
    Rose 44.11%
    Green 42.32%
    Phenolic 40.03%
    Woody 36.2%
    Animal 33.56%
    Geranium 29.68%
    Metallic 29.01%
    Earthy 28.53%

     

    Flavor
    Phenolic 31.26%
    Garlic 28.55%
    Plastic 27.19%
    Medicinal 26.47%
    Penetrating 24.19%
    Sulfurous 24.12%
    Sweet 24.05%
    Pungent 23.26%
    Phenol 22.22%
    Fishy 22.13%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.3

    pKa est.
    6.0 (weak acid)

    Molecular weight
    96.1 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Melting point expt.

    • -42.2 °F (NTP, 1992)

    Boiling point

    • 185.2 °F at 760 mmHg (NTP, 1992)

    Flash point

    • -1.58 ˚C est.
    • 5 °F (NTP, 1992)

    Solubility expt.

    • 1 to 10 mg/mL at 68 °F (NTP, 1992)

  • Synonyms

    • FLUOROBENZENE
    • 462-06-6
    • Benzene, fluoro-
    • Monofluorobenzene
    • Phenyl fluoride
    • Fluorbenzol
    • Fluorobenzenes
    • 4-fluorobenzene
    • fluoro-benzene
    • EINECS 207-321-7
    • NSC 68416
    • CHEBI:5115
    • G3TSZ68K12
    • DTXSID4025329
    • AI3-28560
    • NSC-68416
    • UN2387
    • FLUOROBENZENE [MI]
    • DTXCID305329
    • EC 207-321-7
    • MFCD00000280
    • C6H5F
    • UNII-G3TSZ68K12
    • Fluobenzene
    • fluoranylbenzene
    • p-fluorobenzene
    • 1-fluorobenzene
    • 3-fluorobenzene
    • benzene, fluoro
    • Fluorobenzene, 99%
    • WLN: FR
    • Fluorobenzene [UN2387] [Flammable liquid]
    • CHEMBL16070
    • Fluorobenzene, analytical standard
    • NSC68416
    • Tox21_201054
    • STL268902
    • AKOS000120121
    • FF60033
    • UN 2387
    • Fluorobenzene 10 microg/mL in Methanol
    • Fluorobenzene 100 microg/mL in Methanol
    • MSK000514-1000M
    • NCGC00091679-01
    • NCGC00091679-02
    • NCGC00258607-01
    • CAS-462-06-6
    • DA-05689
    • Fluorobenzene 1000 microg/mL in Methanol
    • Fluorobenzene 2000 microg/mL in Methanol
    • F0034
    • NS00003135
    • EN300-19358
    • Fluorobenzene Solution in Methanol, 1000ug/mL
    • G77189
    • A827008
    • Q420820
    • F0001-1250
    • 207-321-7

  • Applications

    Fluorobenzene (CAS 462-06-6) is primarily used as a synthetic intermediate for fluorinated aromatic compounds, enabling production of pharmaceuticals and agrochemicals; it is also employed as a solvent or reaction medium in industrial manufacturing and chemical analysis; it serves as a precursor for fluorinated polymers and certain materials such as pigments and colorants used in coatings and inks; in coatings, inks, and adhesives, fluorobenzene is used as a solvent or starting material; in electronics and other high-tech applications, it may be used as a processing solvent and cleaning agent during device fabrication, subject to local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 447.18
    methanol 408.68
    isopropanol 384.21
    water 6.47
    ethyl acetate 452.69
    n-propanol 351.08
    acetone 701.8
    n-butanol 299.92
    acetonitrile 750.9
    DMF 704.12
    toluene 72.26
    isobutanol 269.12
    1,4-dioxane 625.1
    methyl acetate 607.26
    THF 513.37
    2-butanone 569.16
    n-pentanol 259.46
    sec-butanol 349.46
    n-hexane 60.61
    ethylene glycol 128.11
    NMP 513.31
    cyclohexane 44.12
    DMSO 833.68
    n-butyl acetate 308.17
    n-octanol 233.41
    chloroform 1049.77
    n-propyl acetate 391.9
    acetic acid 996.84
    dichloromethane 831.63
    cyclohexanone 450.33
    propylene glycol 166.85
    isopropyl acetate 230.99
    DMAc 499.04
    2-ethoxyethanol 375.37
    isopentanol 275.55
    n-heptane 38.54
    ethyl formate 309.06
    1,2-dichloroethane 504.83
    n-hexanol 222.85
    2-methoxyethanol 500.93
    isobutyl acetate 204.45
    tetrachloromethane 93.01
    n-pentyl acetate 267.96
    transcutol 2730.81
    n-heptanol 153.15
    ethylbenzene 100.0
    MIBK 212.68
    2-propoxyethanol 352.19
    tert-butanol 442.02
    MTBE 298.04
    2-butoxyethanol 307.38
    propionic acid 614.15
    o-xylene 83.35
    formic acid 254.8
    diethyl ether 344.33
    m-xylene 69.84
    p-xylene 139.11
    chlorobenzene 192.62
    dimethyl carbonate 155.4
    n-octane 20.93
    formamide 511.95
    cyclopentanone 495.33
    2-pentanone 360.13
    anisole 295.4
    cyclopentyl methyl ether 216.64
    gamma-butyrolactone 719.01
    1-methoxy-2-propanol 416.99
    pyridine 534.88
    3-pentanone 275.21
    furfural 610.61
    n-dodecane 21.26
    diethylene glycol 286.41
    diisopropyl ether 103.25
    tert-amyl alcohol 366.84
    acetylacetone 418.23
    n-hexadecane 22.86
    acetophenone 297.28
    methyl propionate 336.9
    isopentyl acetate 256.21
    trichloroethylene 970.36
    n-nonanol 194.59
    cyclohexanol 219.6
    benzyl alcohol 214.0
    2-ethylhexanol 157.35
    isooctanol 139.31
    dipropyl ether 185.57
    1,2-dichlorobenzene 203.72
    ethyl lactate 192.63
    propylene carbonate 385.65
    n-methylformamide 474.61
    2-pentanol 250.58
    n-pentane 45.68
    1-propoxy-2-propanol 298.2
    1-methoxy-2-propyl acetate 278.77
    2-(2-methoxypropoxy) propanol 415.63
    mesitylene 56.78
    ε-caprolactone 462.57
    p-cymene 68.94
    epichlorohydrin 670.93
    1,1,1-trichloroethane 413.5
    2-aminoethanol 259.22
    morpholine-4-carbaldehyde 622.62
    sulfolane 663.33
    2,2,4-trimethylpentane 28.8
    2-methyltetrahydrofuran 411.73
    n-hexyl acetate 458.79
    isooctane 24.46
    2-(2-butoxyethoxy)ethanol 630.38
    sec-butyl acetate 226.58
    tert-butyl acetate 244.74
    decalin 34.35
    glycerin 228.42
    diglyme 1037.49
    acrylic acid 572.92
    isopropyl myristate 158.87
    n-butyric acid 528.31
    acetyl acetate 293.08
    di(2-ethylhexyl) phthalate 122.24
    ethyl propionate 284.24
    nitromethane 1530.81
    1,2-diethoxyethane 535.31
    benzonitrile 309.01
    trioctyl phosphate 96.69
    1-bromopropane 258.22
    gamma-valerolactone 649.43
    n-decanol 141.15
    triethyl phosphate 109.75
    4-methyl-2-pentanol 155.07
    propionitrile 415.29
    vinylene carbonate 367.45
    1,1,2-trichlorotrifluoroethane 547.13
    DMS 336.43
    cumene 85.08
    2-octanol 136.52
    2-hexanone 377.57
    octyl acetate 198.52
    limonene 92.59
    1,2-dimethoxyethane 608.98
    ethyl orthosilicate 102.15
    tributyl phosphate 134.1
    diacetone alcohol 337.1
    N,N-dimethylaniline 188.37
    acrylonitrile 572.54
    aniline 171.49
    1,3-propanediol 320.28
    bromobenzene 168.81
    dibromomethane 504.95
    1,1,2,2-tetrachloroethane 717.95
    2-methyl-cyclohexyl acetate 187.87
    tetrabutyl urea 164.81
    diisobutyl methanol 108.72
    2-phenylethanol 210.56
    styrene 125.28
    dioctyl adipate 233.45
    dimethyl sulfate 230.1
    ethyl butyrate 250.44
    methyl lactate 211.06
    butyl lactate 236.42
    diethyl carbonate 188.58
    propanediol butyl ether 404.22
    triethyl orthoformate 164.61
    p-tert-butyltoluene 62.88
    methyl 4-tert-butylbenzoate 280.58
    morpholine 635.41
    tert-butylamine 263.23
    n-dodecanol 105.76
    dimethoxymethane 327.67
    ethylene carbonate 285.13
    cyrene 245.27
    2-ethoxyethyl acetate 389.85
    2-ethylhexyl acetate 190.39
    1,2,4-trichlorobenzene 244.59
    4-methylpyridine 365.51
    dibutyl ether 289.36
    2,6-dimethyl-4-heptanol 108.72
    DEF 383.36
    dimethyl isosorbide 476.43
    tetrachloroethylene 418.76
    eugenol 311.43
    triacetin 428.52
    span 80 326.21
    1,4-butanediol 144.53
    1,1-dichloroethane 490.11
    2-methyl-1-pentanol 239.75
    methyl formate 358.04
    2-methyl-1-butanol 263.23
    n-decane 33.89
    butyronitrile 335.93
    3,7-dimethyl-1-octanol 217.88
    1-chlorooctane 132.09
    1-chlorotetradecane 52.44
    n-nonane 34.2
    undecane 26.25
    tert-butylcyclohexane 37.36
    cyclooctane 16.31
    cyclopentanol 246.37
    tetrahydropyran 421.55
    tert-amyl methyl ether 219.87
    2,5,8-trioxanonane 682.65
    1-hexene 172.35
    2-isopropoxyethanol 287.69
    2,2,2-trifluoroethanol 288.63
    methyl butyrate 390.16

    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