3-(Trifluoromethyl)aniline

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  • Identifiers

    CAS number
    98-16-8

    Molecular formula
    C7H6F3N

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

    Safety labels

    Corrosive
    Corrosive

    Acute Toxic
    Acute Toxic

    Irritant
    Irritant

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Odorless 34.64%
    Floral 30.44%
    Animal 28.46%
    Sweet 28.46%
    Grape 25.52%
    Fruity 22.87%
    Meaty 21.08%
    Fishy 20.57%
    Ripe 20.57%
    Balsamic 20.54%

    Scent© AI

  • Properties

    XLogP3-AA
    2.3

    Molecular weight
    161.12 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Melting point expt.

    • 37 °F (EPA, 1998)

    Boiling point

    • 369.5 °F at 764 mmHg (EPA, 1998)
    • 187.5 °C @ 764 MM HG

    Flash point est.
    71.65 ˚C

    Flash point expt.

    • 185 °F (NTP, 1992)

    Solubility expt.

    • Slightly soluble (NTP, 1992)
    • SLIGHTLY SOL IN WATER; SOL IN ALC, ETHER

  • Synonyms

    • 3-(Trifluoromethyl)aniline
    • 3-Aminobenzotrifluoride
    • 98-16-8
    • m-Aminobenzotrifluoride
    • 3-Trifluoromethylaniline
    • Benzenamine, 3-(trifluoromethyl)-
    • m-Trifluoromethylaniline
    • 3-(Trifluoromethyl)benzenamine
    • M-(TRIFLUOROMETHYL)ANILINE
    • m-Aminobenzal fluoride
    • m-Abtf
    • 3-Trifluoromethyl aniline
    • alpha,alpha,alpha-Trifluoro-m-toluidine
    • USAF MA-4
    • 1-Amino-3-(trifluoromethyl)benzene
    • 3-(trifluoromethyl)phenylamine
    • 3-Trifluromethylaniline
    • CCRIS 2812
    • 3-Amino-a,a,a-trifluorotoluene
    • HSDB 4249
    • UNII-Z1RWM538YN
    • NSC 4540
    • EINECS 202-643-4
    • MFCD00007797
    • UN2948
    • BRN 0387672
    • 3trifluoromethylaniline
    • DTXSID9024512
    • AI3-07422
    • 3-aminobenzo-trifluoride
    • NSC-4540
    • 3(trifluoromethyl)aniline
    • 3-Aminotrifluorotoluene
    • Z1RWM538YN
    • DTXCID504512
    • 3-(trifluoromethyl)-benzenamine
    • .alpha.,.alpha.,.alpha.-Trifluoro-m-toluidine
    • EC 202-643-4
    • 4-12-00-01843 (Beilstein Handbook Reference)
    • UN 2948
    • M-(TRIFLUOROMETHYL)ANILINE [HSDB]
    • FLUTAMIDE IMPURITY D [EP IMPURITY]
    • aniline, 3-trifluoromethyl-
    • m-Amino-.alpha.,.alpha.,.alpha.-trifluorotoluene
    • m-Toluidine, .alpha.,.alpha.,.alpha.-trifluoro-
    • 3-AMINO,ALPHA,ALPHA,ALPHA-TRIFLUORO-TOLUENE
    • AMINO-ALPHA,ALPHA,ALPHA-TRIFLUOROTOLUENE, 3-
    • Toluene, 3-amino-.alpha.,.alpha.,.alpha.-trifluoro-,
    • 3-AMINO-.ALPHA.,.ALPHA.,.ALPHA.-TRIFLUOROTOLUENE
    • CAS-98-16-8
    • 3-Trifluoromethyl-phenylamine
    • FLUTAMIDE IMPURITY D (EP IMPURITY)
    • 3-(trifluoromethyl)-aniline
    • 3-(Trifluoromethyl) aniline
    • m-Amino-alpha,alpha,alpha-trifluorotoluene
    • m-Toluidine, alpha,alpha,alpha-trifluoro-
    • Toluene, 3-amino-alpha,alpha,alpha-trifluoro-
    • Flutamide Imp. D (EP); Niflumic Acid Imp. C (EP); 3-(Trifluoromethyl)aniline; Flutamide Impurity D; Niflumic Acid Impurity C
    • mAminobenzal fluoride
    • mAminobenzotrifluoride
    • MABTF
    • 3Aminobenzotrifluoride
    • 3-aminobenzotriflouride
    • 3-trifluormethylaniline
    • 3-trifluoromethylanilin
    • 3trifluoromethyl aniline
    • 3-amino-benzotrifluoride
    • 3-trifloromethyl aniline
    • m-trifluoromethyl aniline
    • m-trifluoromethyl-aniline
    • meta-aminobenzotrifluoride
    • 3-trifluoromethyl-aniline
    • 5-trifluoromethyl-aniline
    • 3-(trifluormethyl)aniline
    • meta-trifluoromethylaniline
    • 3-(tri-fluormethyl)aniline
    • 3-(trifluor-methyl)aniline
    • 3-Trifluoromethylbenzenamine
    • 3-trifluoromethylphenylamine
    • 3-(trifluoro-methyl)aniline
    • 3-trifluoromethylbenzeneamine
    • SCHEMBL39591
    • 3(Trifluoromethyl)benzenamine
    • 3-trifluoromethyl phenyl amine
    • 1Amino3(trifluoromethyl)benzene
    • 3-(trifluoromethyl)benzeneamine
    • 3-F3CC6H4NH2
    • Benzenamine, 3(trifluoromethyl)
    • 3-(trifluoromethyl)benzenaminium
    • CHEMBL1162293
    • [3-(trifluoromethyl)phenyl]amine
    • NSC4540
    • ISKCXMWFGFWNBA-UHFFFAOYSA-N
    • XNZIQYHXPBHLRA-UHFFFAOYSA-N
    • alpha,alpha,alphaTrifluoromtoluidine
    • 2,3,6-trifluoro-5-methyl-aniline
    • CS-D1197
    • Tox21_201909
    • Tox21_303081
    • AC-027
    • STK943763
    • 2,4,6-trifluoro-3-methylbenzenamine
    • 3-(Trifluoromethyl)aniline, >=99%
    • mToluidine, alpha,alpha,alphatrifluoro
    • Toluene,.alpha.,.alpha.-trifluoro-,
    • AKOS000119177
    • mAminoalpha,alpha,alphatrifluorotoluene
    • .alpha.,.alpha.-Trifluoro-m-toluidine
    • FA36984
    • PS-8763
    • NCGC00091738-01
    • NCGC00091738-02
    • NCGC00091738-03
    • NCGC00257044-01
    • NCGC00259458-01
    • Toluene, 3aminoalpha,alpha,alphatrifluoro
    • alpha, alpha, alpha-trifluoro-m-toluidine
    • m-Amino-.alpha.,.alpha.-trifluorotoluene
    • A0434
    • NS00004089
    • EN300-19104
    • 3-Trifluoromethylaniline [UN2948] [Poison]
    • Toluene, 3-amino-alpha,alpha,alpha-trifluoro-,
    • 3-AMINO-ALPHA,ALPHA,ALPHA-TRIFLUOROTOLUENE
    • A935951
    • AG-617/02198031
    • AH-357/04334061
    • M-AMINO-ALPHA,ALPHA, ALPHA-TRIFLUOROTOLUENE

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 922.31
    methanol 1261.98
    isopropanol 715.6
    water 3.22
    ethyl acetate 630.17
    n-propanol 588.58
    acetone 1903.71
    n-butanol 592.81
    acetonitrile 1120.64
    DMF 2515.69
    toluene 248.23
    isobutanol 346.07
    1,4-dioxane 792.77
    methyl acetate 701.43
    THF 2570.69
    2-butanone 1015.91
    n-pentanol 388.54
    sec-butanol 575.06
    n-hexane 26.09
    ethylene glycol 226.36
    NMP 562.3
    cyclohexane 18.82
    DMSO 2827.15
    n-butyl acetate 223.25
    n-octanol 204.12
    chloroform 202.23
    n-propyl acetate 295.11
    acetic acid 278.44
    dichloromethane 289.84
    cyclohexanone 385.64
    propylene glycol 181.45
    isopropyl acetate 341.37
    DMAc 1080.29
    2-ethoxyethanol 805.46
    isopentanol 468.04
    n-heptane 29.68
    ethyl formate 410.47
    1,2-dichloroethane 391.16
    n-hexanol 314.14
    2-methoxyethanol 1406.07
    isobutyl acetate 90.69
    tetrachloromethane 32.47
    n-pentyl acetate 196.98
    transcutol 1001.23
    n-heptanol 169.78
    ethylbenzene 133.15
    MIBK 420.91
    2-propoxyethanol 673.11
    tert-butanol 766.61
    MTBE 571.39
    2-butoxyethanol 338.29
    propionic acid 182.54
    o-xylene 150.1
    formic acid 237.45
    diethyl ether 945.78
    m-xylene 180.36
    p-xylene 103.55
    chlorobenzene 104.46
    dimethyl carbonate 286.91
    n-octane 18.41
    formamide 644.69
    cyclopentanone 817.67
    2-pentanone 993.4
    anisole 337.99
    cyclopentyl methyl ether 554.02
    gamma-butyrolactone 672.95
    1-methoxy-2-propanol 1001.52
    pyridine 467.41
    3-pentanone 485.79
    furfural 451.52
    n-dodecane 18.12
    diethylene glycol 521.64
    diisopropyl ether 187.32
    tert-amyl alcohol 557.01
    acetylacetone 745.99
    n-hexadecane 19.69
    acetophenone 222.62
    methyl propionate 518.4
    isopentyl acetate 157.33
    trichloroethylene 392.02
    n-nonanol 177.59
    cyclohexanol 211.29
    benzyl alcohol 215.96
    2-ethylhexanol 134.57
    isooctanol 114.15
    dipropyl ether 234.01
    1,2-dichlorobenzene 88.1
    ethyl lactate 139.6
    propylene carbonate 218.62
    n-methylformamide 970.5
    2-pentanol 474.31
    n-pentane 52.09
    1-propoxy-2-propanol 350.4
    1-methoxy-2-propyl acetate 262.89
    2-(2-methoxypropoxy) propanol 246.53
    mesitylene 102.12
    ε-caprolactone 279.93
    p-cymene 68.23
    epichlorohydrin 1049.82
    1,1,1-trichloroethane 191.08
    2-aminoethanol 334.38
    morpholine-4-carbaldehyde 683.86
    sulfolane 597.92
    2,2,4-trimethylpentane 17.88
    2-methyltetrahydrofuran 924.99
    n-hexyl acetate 249.22
    isooctane 17.75
    2-(2-butoxyethoxy)ethanol 438.74
    sec-butyl acetate 164.14
    tert-butyl acetate 354.09
    decalin 16.08
    glycerin 215.39
    diglyme 785.79
    acrylic acid 157.95
    isopropyl myristate 113.13
    n-butyric acid 277.51
    acetyl acetate 252.23
    di(2-ethylhexyl) phthalate 67.62
    ethyl propionate 267.13
    nitromethane 1165.44
    1,2-diethoxyethane 430.01
    benzonitrile 187.02
    trioctyl phosphate 70.94
    1-bromopropane 281.51
    gamma-valerolactone 705.3
    n-decanol 135.5
    triethyl phosphate 71.52
    4-methyl-2-pentanol 221.39
    propionitrile 552.45
    vinylene carbonate 168.57
    1,1,2-trichlorotrifluoroethane 302.52
    DMS 157.46
    cumene 78.07
    2-octanol 144.45
    2-hexanone 396.02
    octyl acetate 153.08
    limonene 86.58
    1,2-dimethoxyethane 1380.1
    ethyl orthosilicate 68.43
    tributyl phosphate 71.07
    diacetone alcohol 495.38
    N,N-dimethylaniline 209.85
    acrylonitrile 584.86
    aniline 210.42
    1,3-propanediol 493.74
    bromobenzene 101.04
    dibromomethane 224.14
    1,1,2,2-tetrachloroethane 304.34
    2-methyl-cyclohexyl acetate 91.41
    tetrabutyl urea 112.83
    diisobutyl methanol 92.69
    2-phenylethanol 198.26
    styrene 145.33
    dioctyl adipate 117.08
    dimethyl sulfate 347.72
    ethyl butyrate 170.58
    methyl lactate 263.51
    butyl lactate 122.58
    diethyl carbonate 101.33
    propanediol butyl ether 262.14
    triethyl orthoformate 95.4
    p-tert-butyltoluene 71.43
    methyl 4-tert-butylbenzoate 189.74
    morpholine 929.54
    tert-butylamine 360.01
    n-dodecanol 101.85
    dimethoxymethane 1755.22
    ethylene carbonate 150.75
    cyrene 173.82
    2-ethoxyethyl acetate 272.59
    2-ethylhexyl acetate 108.22
    1,2,4-trichlorobenzene 97.81
    4-methylpyridine 471.88
    dibutyl ether 201.49
    2,6-dimethyl-4-heptanol 92.69
    DEF 735.88
    dimethyl isosorbide 346.72
    tetrachloroethylene 182.16
    eugenol 213.42
    triacetin 145.06
    span 80 151.4
    1,4-butanediol 213.18
    1,1-dichloroethane 299.86
    2-methyl-1-pentanol 288.31
    methyl formate 765.25
    2-methyl-1-butanol 373.41
    n-decane 28.11
    butyronitrile 604.7
    3,7-dimethyl-1-octanol 156.49
    1-chlorooctane 105.73
    1-chlorotetradecane 46.7
    n-nonane 25.59
    undecane 22.33
    tert-butylcyclohexane 16.27
    cyclooctane 12.31
    cyclopentanol 289.15
    tetrahydropyran 624.47
    tert-amyl methyl ether 441.86
    2,5,8-trioxanonane 540.18
    1-hexene 130.2
    2-isopropoxyethanol 427.74
    2,2,2-trifluoroethanol 106.18
    methyl butyrate 337.37

    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