Nicotinyl alcohol hydrofluoride

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  • Identifiers

    CAS number
    62756-44-9

    Molecular formula
    C6H8FNO

    SMILES
    C1=CC(=CN=C1)CO.F

    Safety labels

  • Odor profile

    Fragrance
    Sweet 69.36%
    Almond 49.77%
    Nutty 45.61%
    Earthy 37.19%
    Aromatic 35.73%
    Vanilla 34.7%
    Burnt 34.25%
    Musty 34.13%
    Phenolic 33.22%
    Bitter 33.19%

     

    Flavor
    Sweet 74.39%
    Bitter 47.46%
    Almond 40.8%
    Fruity 39.03%
    Musty 38.39%
    Floral 36.8%
    Woody 35.2%
    Nutty 34.68%
    Caramel 33.75%
    Powdery 31.93%

     

    Odor impact est.
    High

  • Properties

    pKa est.
    5.83 (weak acid)

    Molecular weight
    129.13 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    260°C

    Flash point

    • 110.04 ˚C est.

  • Synonyms

    • Nicotinyl alcohol hydrofluoride
    • 62756-44-9
    • Fluorinol
    • Nicomethanol fluorhydrate
    • Nicomethanol Hydrofluoride
    • 3-Pyridinemethanol, hydrofluoride (1:1)
    • 3-Pyridinemethanol hydrogen fluoride
    • PP 117
    • PP-117
    • Nicotinyl alcohol hydrofluoride [WHO-DD]
    • 67656KJH8M
    • (pyridin-3-yl)methanol hydrofluoride
    • Fluoronicomethanol
    • 3-Pyridinemethanol, hydrofluoride
    • UNII-67656KJH8M
    • EC 700-352-1
    • SCHEMBL2848961
    • 3-pyridyl methanol hydrofluoride
    • SCHEMBL29370701
    • pyridin-3-ylmethanol;hydrofluoride
    • DTXSID201021265
    • AKOS028109945
    • NS00078385
    • Q27264077
    • 62756-44-9

  • Applications

    Nicotinyl alcohol hydrofluoride is a specialty chemical primarily used as an organic synthesis intermediate. In practice it serves as a building block for the preparation of nicotinyl- and other pyridine-containing derivatives in pharmaceutical and agrochemical development. It is commonly explored for process development as a precursor to functionalized pyridine compounds and related specialty chemicals. The fluoride salt form can influence handling, solubility, and reactivity, supporting its use in solution-phase synthesis and scale-up workflows. Overall, typical applications include pharmaceutical and agrochemical intermediate synthesis, preparation of functionalized pyridine derivatives for research and development, and use as a specialized intermediate in fine-chemical manufacturing, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 336.02
    methanol 395.7
    isopropanol 250.95
    water 74.61
    ethyl acetate 98.94
    n-propanol 299.71
    acetone 139.4
    n-butanol 215.7
    acetonitrile 105.43
    DMF 664.68
    toluene 41.14
    isobutanol 223.37
    1,4-dioxane 295.15
    methyl acetate 144.39
    THF 325.15
    2-butanone 159.1
    n-pentanol 147.41
    sec-butanol 187.44
    n-hexane 3.62
    ethylene glycol 172.71
    NMP 514.03
    cyclohexane 5.15
    DMSO 668.44
    n-butyl acetate 109.13
    n-octanol 41.18
    chloroform 258.0
    n-propyl acetate 96.39
    acetic acid 465.83
    dichloromethane 194.35
    cyclohexanone 236.18
    propylene glycol 125.71
    isopropyl acetate 54.8
    DMAc 436.4
    2-ethoxyethanol 238.12
    isopentanol 152.14
    n-heptane 8.86
    ethyl formate 132.17
    1,2-dichloroethane 126.19
    n-hexanol 153.57
    2-methoxyethanol 401.66
    isobutyl acetate 65.55
    tetrachloromethane 59.7
    n-pentyl acetate 49.29
    transcutol 308.3
    n-heptanol 67.93
    ethylbenzene 16.06
    MIBK 73.45
    2-propoxyethanol 238.96
    tert-butanol 262.11
    MTBE 94.28
    2-butoxyethanol 141.83
    propionic acid 342.48
    o-xylene 34.07
    formic acid 468.8
    diethyl ether 62.08
    m-xylene 37.13
    p-xylene 27.97
    chlorobenzene 77.98
    dimethyl carbonate 62.88
    n-octane 2.83
    formamide 455.09
    cyclopentanone 314.17
    2-pentanone 106.94
    anisole 63.68
    cyclopentyl methyl ether 152.26
    gamma-butyrolactone 396.58
    1-methoxy-2-propanol 241.98
    pyridine 252.14
    3-pentanone 76.16
    furfural 377.26
    n-dodecane 2.34
    diethylene glycol 225.11
    diisopropyl ether 18.45
    tert-amyl alcohol 183.85
    acetylacetone 90.98
    n-hexadecane 2.55
    acetophenone 80.28
    methyl propionate 117.95
    isopentyl acetate 77.76
    trichloroethylene 308.91
    n-nonanol 35.69
    cyclohexanol 146.07
    benzyl alcohol 93.28
    2-ethylhexanol 66.37
    isooctanol 54.79
    dipropyl ether 61.6
    1,2-dichlorobenzene 64.47
    ethyl lactate 68.45
    propylene carbonate 183.26
    n-methylformamide 469.96
    2-pentanol 109.27
    n-pentane 4.62
    1-propoxy-2-propanol 164.99
    1-methoxy-2-propyl acetate 91.69
    2-(2-methoxypropoxy) propanol 90.85
    mesitylene 22.03
    ε-caprolactone 193.08
    p-cymene 21.52
    epichlorohydrin 351.11
    1,1,1-trichloroethane 121.41
    2-aminoethanol 287.83
    morpholine-4-carbaldehyde 409.15
    sulfolane 460.68
    2,2,4-trimethylpentane 5.84
    2-methyltetrahydrofuran 247.19
    n-hexyl acetate 52.45
    isooctane 4.92
    2-(2-butoxyethoxy)ethanol 123.89
    sec-butyl acetate 49.68
    tert-butyl acetate 62.48
    decalin 4.2
    glycerin 245.59
    diglyme 242.19
    acrylic acid 303.74
    isopropyl myristate 20.12
    n-butyric acid 312.71
    acetyl acetate 52.53
    di(2-ethylhexyl) phthalate 29.61
    ethyl propionate 63.09
    nitromethane 508.45
    1,2-diethoxyethane 70.01
    benzonitrile 108.96
    trioctyl phosphate 23.7
    1-bromopropane 57.08
    gamma-valerolactone 415.46
    n-decanol 26.29
    triethyl phosphate 34.6
    4-methyl-2-pentanol 58.88
    propionitrile 134.14
    vinylene carbonate 178.13
    1,1,2-trichlorotrifluoroethane 320.87
    DMS 45.8
    cumene 16.49
    2-octanol 34.47
    2-hexanone 85.44
    octyl acetate 30.26
    limonene 32.28
    1,2-dimethoxyethane 229.02
    ethyl orthosilicate 32.79
    tributyl phosphate 27.89
    diacetone alcohol 131.85
    N,N-dimethylaniline 52.89
    acrylonitrile 206.06
    aniline 133.07
    1,3-propanediol 299.23
    bromobenzene 57.49
    dibromomethane 112.21
    1,1,2,2-tetrachloroethane 230.82
    2-methyl-cyclohexyl acetate 50.41
    tetrabutyl urea 39.81
    diisobutyl methanol 35.19
    2-phenylethanol 91.64
    styrene 21.28
    dioctyl adipate 33.37
    dimethyl sulfate 138.34
    ethyl butyrate 75.54
    methyl lactate 103.64
    butyl lactate 57.49
    diethyl carbonate 41.91
    propanediol butyl ether 97.29
    triethyl orthoformate 49.97
    p-tert-butyltoluene 21.46
    methyl 4-tert-butylbenzoate 69.93
    morpholine 401.76
    tert-butylamine 117.2
    n-dodecanol 20.11
    dimethoxymethane 185.57
    ethylene carbonate 139.83
    cyrene 117.35
    2-ethoxyethyl acetate 66.74
    2-ethylhexyl acetate 55.22
    1,2,4-trichlorobenzene 84.76
    4-methylpyridine 209.05
    dibutyl ether 26.53
    2,6-dimethyl-4-heptanol 35.19
    DEF 195.07
    dimethyl isosorbide 133.61
    tetrachloroethylene 173.89
    eugenol 84.07
    triacetin 57.02
    span 80 78.58
    1,4-butanediol 138.51
    1,1-dichloroethane 130.77
    2-methyl-1-pentanol 100.05
    methyl formate 257.84
    2-methyl-1-butanol 161.59
    n-decane 3.47
    butyronitrile 125.09
    3,7-dimethyl-1-octanol 40.73
    1-chlorooctane 17.93
    1-chlorotetradecane 7.15
    n-nonane 3.25
    undecane 2.77
    tert-butylcyclohexane 5.72
    cyclooctane 2.58
    cyclopentanol 225.15
    tetrahydropyran 191.5
    tert-amyl methyl ether 67.69
    2,5,8-trioxanonane 155.41
    1-hexene 18.01
    2-isopropoxyethanol 148.1
    2,2,2-trifluoroethanol 235.36
    methyl butyrate 105.53

    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