2-(Trifluoromethyl)aniline

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  • Identifiers

    CAS number
    88-17-5

    Molecular formula
    C7H6F3N

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

    Safety labels

    Flammable
    Flammable

    Acute Toxic
    Acute Toxic

    Irritant
    Irritant

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Odorless 36.57%
    Sweet 30.69%
    Floral 30.5%
    Grape 28.45%
    Animal 26.91%
    Fruity 23.83%
    Citrus 20.46%
    Ripe 20.25%
    Cooling 20.15%
    Fatty 20.02%

    Scent© AI

  • Properties

    XLogP3-AA
    2.4

    pKa est.
    5.23 (weak acid)

    Molecular weight
    161.12 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    170°C

    Flash point est.
    65.25 ˚C

  • Synonyms

    • 2-(TRIFLUOROMETHYL)ANILINE
    • 2-Aminobenzotrifluoride
    • 88-17-5
    • o-Aminobenzotrifluoride
    • 2-Trifluoromethylaniline
    • o-(Trifluoromethyl)aniline
    • Benzenamine, 2-(trifluoromethyl)-
    • o-Trifluoromethylaniline
    • 2-(Trifluoromethyl)benzenamine
    • alpha,alpha,alpha-Trifluoro-o-toluidine
    • 2-Trifluoromethyl-phenylamine
    • CCRIS 2811
    • 2-trifluoromethylphenylamine
    • EINECS 201-806-7
    • MFCD00007718
    • NSC 10336
    • 2-Trifluromethylaniline
    • AI3-26182
    • I1R59842CE
    • NSC-10336
    • o-(Trifluoromethyl)phenylamine
    • UNII-I1R59842CE
    • DTXSID7058961
    • .alpha.,.alpha.,.alpha.-Trifluoro-o-toluidine
    • EC 201-806-7
    • o-Toluidine, .alpha.,.alpha.,.alpha.-trifluoro-
    • UN 2942
    • 2-AMINO-.ALPHA.,.ALPHA.,.ALPHA.-TRIFLUOROTOLUENE
    • a,a,a-Trifluoro-O-toluidine
    • UN2942
    • 2-(trifluoromethyl) aniline
    • 2-trifluoromethylanilin
    • o-Toluidine, alpha,alpha,alpha-trifluoro-
    • o-trifluoromethyl aniline
    • 2-trifluoromethyl aniline
    • 2-trifluoromethyl-aniline
    • ortho trifluoromethylaniline
    • 2-(trifluoromethyl)-aniline
    • 2-trifluoromethyl phenylamine
    • SCHEMBL70554
    • BIDD:GT0808
    • CHEMBL249549
    • 2-(trifluoromethyl)-Benzenamine
    • DTXCID3048609
    • [2-(trifluoromethyl)phenyl]amine
    • JFXRFURVRWWSPY-UHFFFAOYSA-N
    • 2-(Trifluoromethyl)aniline, 99%
    • NSC10336
    • STL163342
    • AKOS000119176
    • .alpha.,.alpha.-Trifluoro-o-toluidine
    • AT20036
    • CS-W004108
    • PS-8764
    • AC-10748
    • 2-amino-alpha,alpha,alpha-trifluorotoluene
    • DB-346360
    • A0433
    • A7166
    • NS00004341
    • EN300-19102
    • 2-Aminotrifluorotoluene 2-Trifluoromethylaniline
    • 2-Trifluoromethylaniline [UN2942] [Poison]
    • Q27280261
    • F2190-0434
    • Z104472784

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 965.26
    methanol 1196.19
    isopropanol 706.03
    water 3.12
    ethyl acetate 1009.45
    n-propanol 593.63
    acetone 1973.76
    n-butanol 600.88
    acetonitrile 1259.66
    DMF 2955.14
    toluene 220.22
    isobutanol 345.72
    1,4-dioxane 963.21
    methyl acetate 786.32
    THF 3267.39
    2-butanone 1087.88
    n-pentanol 455.12
    sec-butanol 556.59
    n-hexane 51.82
    ethylene glycol 332.64
    NMP 1129.8
    cyclohexane 27.8
    DMSO 4118.25
    n-butyl acetate 342.97
    n-octanol 222.51
    chloroform 328.87
    n-propyl acetate 473.62
    acetic acid 509.14
    dichloromethane 439.0
    cyclohexanone 569.98
    propylene glycol 357.78
    isopropyl acetate 577.84
    DMAc 1049.48
    2-ethoxyethanol 971.04
    isopentanol 470.18
    n-heptane 47.73
    ethyl formate 623.3
    1,2-dichloroethane 572.19
    n-hexanol 386.53
    2-methoxyethanol 1976.74
    isobutyl acetate 149.49
    tetrachloromethane 48.5
    n-pentyl acetate 301.62
    transcutol 1472.78
    n-heptanol 197.74
    ethylbenzene 114.0
    MIBK 602.4
    2-propoxyethanol 1034.55
    tert-butanol 684.77
    MTBE 449.52
    2-butoxyethanol 472.54
    propionic acid 356.04
    o-xylene 119.5
    formic acid 386.42
    diethyl ether 875.78
    m-xylene 184.58
    p-xylene 91.27
    chlorobenzene 153.97
    dimethyl carbonate 498.86
    n-octane 22.75
    formamide 917.68
    cyclopentanone 1242.6
    2-pentanone 1269.13
    anisole 347.45
    cyclopentyl methyl ether 767.67
    gamma-butyrolactone 1326.88
    1-methoxy-2-propanol 1714.68
    pyridine 569.09
    3-pentanone 636.88
    furfural 854.72
    n-dodecane 21.82
    diethylene glycol 869.02
    diisopropyl ether 232.64
    tert-amyl alcohol 477.18
    acetylacetone 1292.29
    n-hexadecane 23.85
    acetophenone 263.53
    methyl propionate 835.14
    isopentyl acetate 216.02
    trichloroethylene 597.69
    n-nonanol 208.93
    cyclohexanol 272.96
    benzyl alcohol 249.69
    2-ethylhexanol 165.98
    isooctanol 134.18
    dipropyl ether 336.5
    1,2-dichlorobenzene 126.27
    ethyl lactate 289.71
    propylene carbonate 520.79
    n-methylformamide 1491.22
    2-pentanol 550.15
    n-pentane 80.69
    1-propoxy-2-propanol 624.02
    1-methoxy-2-propyl acetate 479.03
    2-(2-methoxypropoxy) propanol 357.93
    mesitylene 116.48
    ε-caprolactone 494.98
    p-cymene 72.08
    epichlorohydrin 1551.43
    1,1,1-trichloroethane 311.7
    2-aminoethanol 502.07
    morpholine-4-carbaldehyde 1093.95
    sulfolane 1422.11
    2,2,4-trimethylpentane 23.17
    2-methyltetrahydrofuran 1070.68
    n-hexyl acetate 372.1
    isooctane 29.3
    2-(2-butoxyethoxy)ethanol 660.49
    sec-butyl acetate 265.09
    tert-butyl acetate 515.31
    decalin 21.78
    glycerin 487.04
    diglyme 979.7
    acrylic acid 341.63
    isopropyl myristate 171.29
    n-butyric acid 557.04
    acetyl acetate 503.88
    di(2-ethylhexyl) phthalate 99.01
    ethyl propionate 486.73
    nitromethane 1839.98
    1,2-diethoxyethane 555.69
    benzonitrile 256.26
    trioctyl phosphate 108.89
    1-bromopropane 381.32
    gamma-valerolactone 1198.99
    n-decanol 167.04
    triethyl phosphate 105.5
    4-methyl-2-pentanol 289.28
    propionitrile 675.66
    vinylene carbonate 382.3
    1,1,2-trichlorotrifluoroethane 567.28
    DMS 275.67
    cumene 72.93
    2-octanol 163.41
    2-hexanone 548.77
    octyl acetate 216.63
    limonene 98.59
    1,2-dimethoxyethane 1451.4
    ethyl orthosilicate 96.38
    tributyl phosphate 119.4
    diacetone alcohol 799.33
    N,N-dimethylaniline 216.09
    acrylonitrile 858.79
    aniline 254.93
    1,3-propanediol 724.79
    bromobenzene 138.49
    dibromomethane 342.29
    1,1,2,2-tetrachloroethane 470.5
    2-methyl-cyclohexyl acetate 133.4
    tetrabutyl urea 175.16
    diisobutyl methanol 129.17
    2-phenylethanol 266.86
    styrene 130.41
    dioctyl adipate 180.2
    dimethyl sulfate 674.29
    ethyl butyrate 298.67
    methyl lactate 619.35
    butyl lactate 232.76
    diethyl carbonate 168.8
    propanediol butyl ether 415.07
    triethyl orthoformate 155.87
    p-tert-butyltoluene 77.31
    methyl 4-tert-butylbenzoate 251.32
    morpholine 1167.07
    tert-butylamine 338.79
    n-dodecanol 128.04
    dimethoxymethane 2177.56
    ethylene carbonate 331.53
    cyrene 298.06
    2-ethoxyethyl acetate 403.89
    2-ethylhexyl acetate 146.21
    1,2,4-trichlorobenzene 147.09
    4-methylpyridine 500.94
    dibutyl ether 250.11
    2,6-dimethyl-4-heptanol 129.17
    DEF 1007.41
    dimethyl isosorbide 575.1
    tetrachloroethylene 257.62
    eugenol 299.79
    triacetin 243.2
    span 80 272.43
    1,4-butanediol 296.9
    1,1-dichloroethane 450.4
    2-methyl-1-pentanol 309.25
    methyl formate 1163.28
    2-methyl-1-butanol 369.3
    n-decane 32.94
    butyronitrile 734.75
    3,7-dimethyl-1-octanol 178.91
    1-chlorooctane 120.63
    1-chlorotetradecane 57.5
    n-nonane 29.79
    undecane 27.02
    tert-butylcyclohexane 22.52
    cyclooctane 18.26
    cyclopentanol 430.78
    tetrahydropyran 706.88
    tert-amyl methyl ether 384.93
    2,5,8-trioxanonane 735.34
    1-hexene 193.53
    2-isopropoxyethanol 560.9
    2,2,2-trifluoroethanol 204.97
    methyl butyrate 561.87

    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