2-Fluorotoluene

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  • Identifiers

    CAS number
    95-52-3

    Molecular formula
    C7H7F

    SMILES
    CC1=CC=CC=C1F

    Safety labels

    Flammable
    Flammable

    Acute Toxic
    Acute Toxic

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Phenolic 52.15%
    Floral 42.48%
    Animal 38.6%
    Woody 37.2%
    Leathery 37.03%
    Medicinal 34.91%
    Sweet 34.75%
    Musty 33.92%
    Smoky 33.77%
    Earthy 30.57%

     

    Flavor
    Phenolic 50.54%
    Meaty 42.99%
    Medicinal 41.17%
    Sulfurous 40.83%
    Garlic 30.38%
    Egg 28.47%
    Phenol 28.33%
    Onion 28.27%
    Smoke 25.99%
    Fishy 25.99%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.9

    pKa est.
    5.44 (weak acid)

    Molecular weight
    110.13 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Melting point expt.

    • -79.6 °F (USCG, 1999)

    Boiling point

    • 237.2 °F at 760 mmHg (USCG, 1999)

    Flash point

    • 24.01 ˚C est.
    • 55 °F (USCG, 1999)

  • Synonyms

    • 2-Fluorotoluene
    • 95-52-3
    • O-FLUOROTOLUENE
    • 1-Fluoro-2-methylbenzene
    • Benzene, 1-fluoro-2-methyl-
    • Toluene, o-fluoro-
    • 1-Methyl-2-fluorobenzene
    • ortho-Fluorotoluene
    • UNII-L55XKB3K7H
    • NSC 8859
    • EINECS 202-428-5
    • BRN 1853362
    • FLUOROTOLUENE
    • 2-FLUOROTOLUENE-ALPHA,ALPHA,ALPHA-D3
    • NSC-8859
    • L55XKB3K7H
    • O-FLUOROTOLUENE [MI]
    • CHEMBL352215
    • DTXSID7021811
    • 2-FLUOROTOLUENE-ALPHA-D1
    • EC 202-428-5
    • 4-05-00-00799 (Beilstein Handbook Reference)
    • UN 2388
    • 17359-78-3
    • 1-Fluoro-2-methyl-benzene
    • O-TOLYL FLUORIDE
    • 2 -fluorotoluene
    • 2-fluoro-toluene
    • 2-Fluorotoluene, >=99%
    • SCHEMBL11837
    • DTXCID401811
    • 2-FLUORO-1-METHYLBENZENE
    • NSC8859
    • 1-methylbutyl 2-methylprop-2-enoate
    • BDBM50008541
    • STL356491
    • AKOS000119932
    • PS-11960
    • DB-024291
    • F0039
    • NS00002197
    • EN300-19497
    • o-Fluorotoluene [UN2388] [Flammable liquid]
    • Q27282724
    • F0001-2273
    • Z104474026

  • Applications

    2-Fluorotoluene (CAS 95-52-3) is primarily used as an intermediate for the synthesis of fluorinated aromatic compounds, providing a building block for downstream products in pharmaceuticals, agrochemicals, and other specialty chemicals. It also serves as a precursor for dyes and pigments and as a starting point in the development of fluorinated polymers and plastics, as well as in coatings and inks formulations where fluorinated aryl motifs are desirable. In addition, it may be used in research and process development as a reactive building block for introducing fluoro substituents into more complex molecules, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 517.01
    methanol 579.5
    isopropanol 400.61
    water 7.81
    ethyl acetate 602.16
    n-propanol 417.03
    acetone 461.55
    n-butanol 389.28
    acetonitrile 711.89
    DMF 425.79
    toluene 233.9
    isobutanol 342.36
    1,4-dioxane 959.37
    methyl acetate 579.98
    THF 783.4
    2-butanone 501.89
    n-pentanol 390.54
    sec-butanol 385.97
    n-hexane 120.97
    ethylene glycol 95.33
    NMP 380.72
    cyclohexane 74.36
    DMSO 495.62
    n-butyl acetate 469.59
    n-octanol 248.44
    chloroform 1807.08
    n-propyl acetate 512.37
    acetic acid 571.93
    dichloromethane 1669.61
    cyclohexanone 510.58
    propylene glycol 96.21
    isopropyl acetate 337.13
    DMAc 364.79
    2-ethoxyethanol 521.57
    isopentanol 385.73
    n-heptane 67.72
    ethyl formate 408.89
    1,2-dichloroethane 915.35
    n-hexanol 341.17
    2-methoxyethanol 517.95
    isobutyl acetate 284.54
    tetrachloromethane 336.65
    n-pentyl acetate 363.26
    transcutol 2683.8
    n-heptanol 218.76
    ethylbenzene 194.66
    MIBK 318.9
    2-propoxyethanol 482.05
    tert-butanol 507.75
    MTBE 498.04
    2-butoxyethanol 407.57
    propionic acid 404.76
    o-xylene 186.09
    formic acid 282.61
    diethyl ether 599.32
    m-xylene 185.72
    p-xylene 248.69
    chlorobenzene 361.05
    dimethyl carbonate 171.63
    n-octane 34.77
    formamide 514.55
    cyclopentanone 518.93
    2-pentanone 420.15
    anisole 445.46
    cyclopentyl methyl ether 386.52
    gamma-butyrolactone 726.27
    1-methoxy-2-propanol 389.62
    pyridine 584.79
    3-pentanone 332.49
    furfural 720.61
    n-dodecane 26.24
    diethylene glycol 331.67
    diisopropyl ether 213.89
    tert-amyl alcohol 460.12
    acetylacetone 428.33
    n-hexadecane 29.42
    acetophenone 388.27
    methyl propionate 381.82
    isopentyl acetate 404.56
    trichloroethylene 1679.09
    n-nonanol 217.41
    cyclohexanol 285.01
    benzyl alcohol 306.87
    2-ethylhexanol 236.62
    isooctanol 203.08
    dipropyl ether 307.4
    1,2-dichlorobenzene 376.49
    ethyl lactate 192.71
    propylene carbonate 439.95
    n-methylformamide 417.91
    2-pentanol 317.54
    n-pentane 89.93
    1-propoxy-2-propanol 366.7
    1-methoxy-2-propyl acetate 385.8
    2-(2-methoxypropoxy) propanol 449.9
    mesitylene 144.06
    ε-caprolactone 559.14
    p-cymene 123.72
    epichlorohydrin 1030.64
    1,1,1-trichloroethane 856.02
    2-aminoethanol 223.81
    morpholine-4-carbaldehyde 694.79
    sulfolane 598.49
    2,2,4-trimethylpentane 62.8
    2-methyltetrahydrofuran 656.98
    n-hexyl acetate 496.78
    isooctane 57.71
    2-(2-butoxyethoxy)ethanol 646.73
    sec-butyl acetate 325.57
    tert-butyl acetate 391.39
    decalin 65.86
    glycerin 140.96
    diglyme 1189.4
    acrylic acid 348.62
    isopropyl myristate 182.71
    n-butyric acid 501.88
    acetyl acetate 353.64
    di(2-ethylhexyl) phthalate 148.5
    ethyl propionate 381.73
    nitromethane 971.8
    1,2-diethoxyethane 819.55
    benzonitrile 437.79
    trioctyl phosphate 107.02
    1-bromopropane 484.49
    gamma-valerolactone 765.56
    n-decanol 153.67
    triethyl phosphate 167.49
    4-methyl-2-pentanol 213.78
    propionitrile 509.7
    vinylene carbonate 442.43
    1,1,2-trichlorotrifluoroethane 544.73
    DMS 358.2
    cumene 156.49
    2-octanol 178.45
    2-hexanone 460.98
    octyl acetate 217.82
    limonene 152.51
    1,2-dimethoxyethane 837.09
    ethyl orthosilicate 174.11
    tributyl phosphate 158.94
    diacetone alcohol 386.55
    N,N-dimethylaniline 283.47
    acrylonitrile 591.16
    aniline 275.15
    1,3-propanediol 300.16
    bromobenzene 385.54
    dibromomethane 1039.61
    1,1,2,2-tetrachloroethane 1073.25
    2-methyl-cyclohexyl acetate 262.55
    tetrabutyl urea 164.75
    diisobutyl methanol 162.61
    2-phenylethanol 303.4
    styrene 236.01
    dioctyl adipate 247.5
    dimethyl sulfate 228.46
    ethyl butyrate 364.27
    methyl lactate 158.4
    butyl lactate 235.81
    diethyl carbonate 262.71
    propanediol butyl ether 339.76
    triethyl orthoformate 248.66
    p-tert-butyltoluene 120.87
    methyl 4-tert-butylbenzoate 317.16
    morpholine 846.7
    tert-butylamine 379.97
    n-dodecanol 116.25
    dimethoxymethane 411.21
    ethylene carbonate 369.66
    cyrene 290.44
    2-ethoxyethyl acetate 515.95
    2-ethylhexyl acetate 315.88
    1,2,4-trichlorobenzene 401.85
    4-methylpyridine 538.04
    dibutyl ether 365.75
    2,6-dimethyl-4-heptanol 162.61
    DEF 419.51
    dimethyl isosorbide 587.41
    tetrachloroethylene 780.8
    eugenol 350.47
    triacetin 448.76
    span 80 311.87
    1,4-butanediol 166.72
    1,1-dichloroethane 899.47
    2-methyl-1-pentanol 382.28
    methyl formate 315.48
    2-methyl-1-butanol 364.98
    n-decane 46.9
    butyronitrile 501.24
    3,7-dimethyl-1-octanol 250.63
    1-chlorooctane 171.08
    1-chlorotetradecane 65.82
    n-nonane 47.13
    undecane 33.54
    tert-butylcyclohexane 78.32
    cyclooctane 35.6
    cyclopentanol 272.83
    tetrahydropyran 668.05
    tert-amyl methyl ether 372.63
    2,5,8-trioxanonane 728.22
    1-hexene 288.21
    2-isopropoxyethanol 424.16
    2,2,2-trifluoroethanol 231.49
    methyl butyrate 484.45

    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