Florox Reagent

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  • Identifiers

    CAS number
    57981-02-9

    Molecular formula
    C7H5ClF5NO

    SMILES
    C(C1=C(C(=C(C(=C1F)F)F)F)F)ON.Cl

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 53.05%
    Burnt 22.99%
    Fishy 18.64%
    Animal 18.58%
    Phenolic 18.35%
    Savory 17.43%
    Sweet 16.67%
    Smoky 16.61%
    Cooling 16.02%
    Ripe 15.63%

     

    Flavor
    Bitter 60.57%
    Odorless 40.69%
    Mild 27.66%
    Bland 24.5%
    Roasted 23.5%
    Sweet-like 22.33%
    Scallion 20.59%
    Nitrile 19.95%
    Very strong 19.68%
    Soybean 19.62%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    7.76 (neutral)

    Molecular weight
    249.56 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    186°C

    Flash point

    • 77.88 ˚C est.

  • Synonyms

    • 57981-02-9
    • O-(2,3,4,5,6-Pentafluorobenzyl)hydroxylamine hydrochloride
    • Florox Reagent
    • O-((Perfluorophenyl)methyl)hydroxylamine hydrochloride
    • EINECS 261-057-7
    • MFCD00012953
    • O-(Pentafluorobenzyl)hydroxylamine hydrochloride
    • O-[(2,3,4,5,6-pentafluorophenyl)methyl]hydroxylamine;hydrochloride
    • Hydroxylamine, O-((pentafluorophenyl)methyl)-, hydrochloride
    • Hydroxylamine, O-[(pentafluorophenyl)methyl]-, hydrochloride
    • DTXSID60206708
    • O-[(2,3,4,5,6-pentafluorophenyl)methyl]hydroxylamine hydrochloride
    • O-(2,3,4,5,6-Pentafluorobenzyl)hydroxylamine hydrochloride for GC derivatization
    • Pentafluorobenzyloxyamine hydrochloride
    • NSC 153392
    • NSC-153392
    • n-[(2,3,4,5,6-pentafluorobenzyl)oxy]amine hydrochloride
    • Hydroxylamine, O-[(2,3,4,5,6-pentafluorophenyl)methyl]-, hydrochloride (1:1) (ACI); Hydroxylamine, O-[(pentafluorophenyl)methyl]-, hydrochloride (9CI); ((Perfluorophenyl)methoxy)amine hydrochloride; 2,3,4,5,6-Pentafluorobenzyloxyamine hydrochloride; N-[(2
    • PFBHA
    • PFBHOX
    • PFBOA
    • PFBHA.HCl
    • pentafluorobenzyloxylamine
    • C7H5ClF5NO
    • pentafluorobenzyloxylammonium
    • SCHEMBL821887
    • N86A2EGW58
    • DTXCID50129199
    • 1-[(Aminooxy)methyl]-2,3,4,5,6-pentafluorobenzene hydrochloride
    • NSC153392
    • AKOS015849383
    • CS-W012654
    • Hydroxylamine, O-[(2,3,4,5,6-pentafluorophenyl)methyl]-, hydrochloride (1:1)
    • FP177402
    • PS-10075
    • SY027490
    • DB-053138
    • ((perfluorophenyl)methoxy)amine hydrochloride
    • NS00033826
    • P0822
    • A51095
    • O-(Pentafluorobenzyl)hydroxyamine hydrochloride
    • 2,3,4,5,6-Pentafluorobenzyloxyamine hydrochloride
    • O-(2,3,4,5,6-Pentafluorobenzyl)hydroxylamine HCl
    • o-(2,3,4,5,6-pentafluorobenzyl)hydroxylamine.hcl
    • O-(2,3,4,5,6-Pentafluorobenzyl)hydroxylamine hydrochloride, >=98%
    • O-[DIFLUORO-(2,3,4-TRIFLUOROPHENYL)METHYL]HYDROXYLAMINE HCL
    • o-(2,3,4,5,6-pentafluorobenzyl)hydroxylamine hydrochloride [for oxime preparation]
    • 261-057-7
    • O-(2,3,4,5,6-Pentafluorobenzyl)hydroxylamine hydrochloride, for GC derivatization, >=99.0% (AT)

  • Applications

    Florox Reagent, CAS 57981-02-9, is used as an intermediate and may act as a solvent or stabilizer in chemical synthesis and formulations. It may also function as a chelating agent in certain solvent systems and formulations. In typical industrial contexts, applications include processing and formulation in polymers/plastics, coatings and inks, adhesives, and cleaning formulations, with potential support for electronics manufacturing, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 136.46
    methanol 201.64
    isopropanol 85.78
    water 4.04
    ethyl acetate 306.12
    n-propanol 84.81
    acetone 536.51
    n-butanol 70.08
    acetonitrile 340.66
    DMF 527.03
    toluene 55.31
    isobutanol 56.72
    1,4-dioxane 244.3
    methyl acetate 382.26
    THF 691.13
    2-butanone 322.69
    n-pentanol 49.1
    sec-butanol 81.56
    n-hexane 6.98
    ethylene glycol 88.19
    NMP 660.74
    cyclohexane 14.67
    DMSO 1504.31
    n-butyl acetate 114.61
    n-octanol 30.75
    chloroform 110.75
    n-propyl acetate 143.56
    acetic acid 207.74
    dichloromethane 201.96
    cyclohexanone 175.38
    propylene glycol 69.26
    isopropyl acetate 160.93
    DMAc 580.76
    2-ethoxyethanol 196.37
    isopentanol 65.62
    n-heptane 11.38
    ethyl formate 172.89
    1,2-dichloroethane 186.7
    n-hexanol 53.9
    2-methoxyethanol 358.92
    isobutyl acetate 46.84
    tetrachloromethane 31.65
    n-pentyl acetate 57.12
    transcutol 375.7
    n-heptanol 28.07
    ethylbenzene 32.96
    MIBK 121.01
    2-propoxyethanol 171.45
    tert-butanol 116.53
    MTBE 135.7
    2-butoxyethanol 87.51
    propionic acid 121.36
    o-xylene 44.48
    formic acid 184.0
    diethyl ether 178.8
    m-xylene 38.76
    p-xylene 31.44
    chlorobenzene 44.72
    dimethyl carbonate 218.32
    n-octane 4.09
    formamide 497.65
    cyclopentanone 392.28
    2-pentanone 221.55
    anisole 125.5
    cyclopentyl methyl ether 189.79
    gamma-butyrolactone 478.96
    1-methoxy-2-propanol 238.01
    pyridine 211.01
    3-pentanone 184.98
    furfural 407.17
    n-dodecane 3.06
    diethylene glycol 186.25
    diisopropyl ether 55.46
    tert-amyl alcohol 106.94
    acetylacetone 408.17
    n-hexadecane 3.48
    acetophenone 134.97
    methyl propionate 269.8
    isopentyl acetate 81.19
    trichloroethylene 247.19
    n-nonanol 28.79
    cyclohexanol 58.68
    benzyl alcohol 71.5
    2-ethylhexanol 37.35
    isooctanol 21.84
    dipropyl ether 72.7
    1,2-dichlorobenzene 48.73
    ethyl lactate 89.98
    propylene carbonate 210.6
    n-methylformamide 334.78
    2-pentanol 61.63
    n-pentane 11.96
    1-propoxy-2-propanol 108.29
    1-methoxy-2-propyl acetate 182.67
    2-(2-methoxypropoxy) propanol 122.28
    mesitylene 26.12
    ε-caprolactone 181.74
    p-cymene 28.89
    epichlorohydrin 500.58
    1,1,1-trichloroethane 121.28
    2-aminoethanol 93.28
    morpholine-4-carbaldehyde 437.69
    sulfolane 653.94
    2,2,4-trimethylpentane 6.68
    2-methyltetrahydrofuran 341.6
    n-hexyl acetate 78.87
    isooctane 4.16
    2-(2-butoxyethoxy)ethanol 131.65
    sec-butyl acetate 87.53
    tert-butyl acetate 170.18
    decalin 6.86
    glycerin 116.99
    diglyme 315.12
    acrylic acid 144.61
    isopropyl myristate 33.32
    n-butyric acid 103.87
    acetyl acetate 243.82
    di(2-ethylhexyl) phthalate 32.19
    ethyl propionate 158.79
    nitromethane 886.36
    1,2-diethoxyethane 121.04
    benzonitrile 82.68
    trioctyl phosphate 24.99
    1-bromopropane 87.31
    gamma-valerolactone 372.46
    n-decanol 22.43
    triethyl phosphate 64.1
    4-methyl-2-pentanol 37.19
    propionitrile 137.6
    vinylene carbonate 151.2
    1,1,2-trichlorotrifluoroethane 291.19
    DMS 148.74
    cumene 21.02
    2-octanol 19.33
    2-hexanone 127.25
    octyl acetate 47.3
    limonene 41.32
    1,2-dimethoxyethane 329.24
    ethyl orthosilicate 51.13
    tributyl phosphate 33.0
    diacetone alcohol 219.42
    N,N-dimethylaniline 80.5
    acrylonitrile 208.04
    aniline 80.87
    1,3-propanediol 119.23
    bromobenzene 42.64
    dibromomethane 122.78
    1,1,2,2-tetrachloroethane 167.96
    2-methyl-cyclohexyl acetate 68.14
    tetrabutyl urea 51.9
    diisobutyl methanol 24.77
    2-phenylethanol 77.34
    styrene 39.99
    dioctyl adipate 58.47
    dimethyl sulfate 392.3
    ethyl butyrate 107.93
    methyl lactate 171.89
    butyl lactate 52.53
    diethyl carbonate 85.55
    propanediol butyl ether 69.95
    triethyl orthoformate 67.76
    p-tert-butyltoluene 27.81
    methyl 4-tert-butylbenzoate 91.21
    morpholine 288.12
    tert-butylamine 60.37
    n-dodecanol 17.16
    dimethoxymethane 391.4
    ethylene carbonate 116.05
    cyrene 154.97
    2-ethoxyethyl acetate 120.09
    2-ethylhexyl acetate 62.08
    1,2,4-trichlorobenzene 67.2
    4-methylpyridine 160.95
    dibutyl ether 41.33
    2,6-dimethyl-4-heptanol 24.77
    DEF 251.73
    dimethyl isosorbide 234.92
    tetrachloroethylene 125.22
    eugenol 87.84
    triacetin 117.85
    span 80 65.09
    1,4-butanediol 49.54
    1,1-dichloroethane 122.01
    2-methyl-1-pentanol 46.7
    methyl formate 345.46
    2-methyl-1-butanol 62.77
    n-decane 4.93
    butyronitrile 101.39
    3,7-dimethyl-1-octanol 30.88
    1-chlorooctane 18.95
    1-chlorotetradecane 8.3
    n-nonane 4.83
    undecane 3.85
    tert-butylcyclohexane 5.0
    cyclooctane 7.29
    cyclopentanol 95.86
    tetrahydropyran 157.41
    tert-amyl methyl ether 124.04
    2,5,8-trioxanonane 226.5
    1-hexene 23.33
    2-isopropoxyethanol 120.08
    2,2,2-trifluoroethanol 141.87
    methyl butyrate 171.07

    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