3-Chloro-4-methylaniline

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  • Identifiers

    CAS number
    95-74-9

    Molecular formula
    C7H8ClN

    SMILES
    CC1=C(C=C(C=C1)N)Cl

    Safety labels

    Acute Toxic
    Acute Toxic

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Animal 40.42%
    Phenolic 39.48%
    Sweet 35.02%
    Floral 29.98%
    Burnt 29.32%
    Musty 28.98%
    Smoky 28.27%
    Meaty 27.25%
    Leathery 25.76%
    Fruity 25.16%

     

    Flavor
    Meaty 34.43%
    Phenolic 32.04%
    Mild 29.15%
    Sulfurous 25.08%
    Roasted 24.19%
    Medicinal 24.04%
    Penetrating 21.17%
    Very strong 20.97%
    Flat 20.78%
    Indole 20.77%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.9

    pKa est.
    4.13 (weak acid)

    Molecular weight
    141.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Melting point expt.

    • 79 °F (NTP, 1992)
    • 26 °C

    Boiling point

    • 468 to 471 °F at 760 mmHg (NTP, 1992)
    • 243 °C

    Flash point

    • 109.33 ˚C est.
    • 212 °F (NTP, 1992)
    • 136 °C
    • ~136 °C

    Solubility expt.

    • less than 1 mg/mL at 72 °F (NTP, 1992)
    • Soluble in ethanol; slightly soluble in carbon tetrachloride

  • Synonyms

    • 3-Chloro-4-methylaniline
    • 95-74-9
    • 3-CHLORO-P-TOLUIDINE
    • 2-Chloro-4-aminotoluene
    • 4-Amino-2-chlorotoluene
    • Benzenamine, 3-chloro-4-methyl-
    • 3-Chloro-4-methylbenzenamine
    • 3-Chloro-4-methylphenylamine
    • 4-Methyl-3-chloroaniline
    • 1-Amino-3-chloro-4-methylbenzene
    • p-Toluidine, 3-chloro-
    • NCI-C02040
    • DRC 1339
    • CCRIS 152
    • 3-chloro-4-methyl-phenylamine
    • HSDB 2060
    • DRC 1347
    • EINECS 202-446-3
    • NSC 96620
    • UNII-32Y306W7BQ
    • BRN 0636511
    • DTXSID0020286
    • CHEBI:37824
    • 3-chloro-4-toluidine
    • DKC 1347
    • MFCD00007773
    • NSC-96620
    • DTXCID60286
    • EC 202-446-3
    • 32Y306W7BQ
    • 4-12-00-01985 (Beilstein Handbook Reference)
    • 3-?Chloro-?4-?methylaniline
    • 3-Chloro-para-Toluidine
    • 3-chloro-4-methyl aniline
    • CAS-95-74-9
    • 3-CPT
    • Aniline, 3-chloro-4-methyl-
    • o-Chlor-p-toluidin
    • 2Chloro4aminotoluene
    • 4Amino2chlorotoluene
    • pToluidine, 3chloro
    • 3Chloro4methylaniline
    • 4Methyl3chloroaniline
    • 827571-80-2
    • 2-Chlor-4-aminotoluol
    • 3Chloro4methylbenzenamine
    • 3Chloro4methylphenylamine
    • 3-chloro 4-methylaniline
    • 2-chloro-4-amino-toluene
    • 1Amino3chloro4methylbenzene
    • Benzenamine, 3chloro4methyl
    • WLN: ZR CG D1
    • 3-chloranyl-4-methyl-aniline
    • MLS002303000
    • SCHEMBL349538
    • CHEMBL1374337
    • 2-Chloro-4-aminotoluene, 98%
    • 4-Amino-2-chlor-1-methylbenzol
    • 3-Chloro-4-methylaniline, 98%
    • HMS3055G10
    • CS-M1324
    • NSC96620
    • STR02553
    • Tox21_201871
    • Tox21_302755
    • STK943762
    • AKOS000119158
    • 4-AMINO-2-CHLOROTOLUENE[HSDB]
    • FC64322
    • 4-AMINO-2-CHLOROTOLUENE [HSDB]
    • NCGC00091083-01
    • NCGC00091083-02
    • NCGC00256599-01
    • NCGC00259420-01
    • SMR001252231
    • TS-01846
    • DB-024297
    • NS00005824
    • EN300-18377
    • D77417
    • A845453
    • Q7602061
    • Z57127543
    • F2190-0474
    • 3-Chloro-4-methylaniline, PESTANAL(R), analytical standard

  • Applications

    3-Chloro-4-methylaniline (CAS 95-74-9) is primarily used as an intermediate in the synthesis of colorants and pigments for textiles, coatings, and inks (including azo dyes and related pigments); it also serves as a building block for pharmaceutical and agrochemical intermediates. In polymer and plastics chemistry, it provides an aryl amine functionality for functionalized polymers and resin formulations; additionally, it is used in coating and adhesive systems as a colorant precursor and related intermediate. Use is governed by local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 197.46
    methanol 166.93
    isopropanol 160.67
    water 3.27
    ethyl acetate 240.56
    n-propanol 155.81
    acetone 592.14
    n-butanol 134.16
    acetonitrile 205.81
    DMF 722.54
    toluene 66.46
    isobutanol 107.27
    1,4-dioxane 411.71
    methyl acetate 241.93
    THF 994.48
    2-butanone 403.18
    n-pentanol 94.04
    sec-butanol 118.8
    n-hexane 5.11
    ethylene glycol 49.78
    NMP 319.3
    cyclohexane 3.72
    DMSO 535.07
    n-butyl acetate 133.67
    n-octanol 75.26
    chloroform 256.13
    n-propyl acetate 104.07
    acetic acid 133.72
    dichloromethane 181.79
    cyclohexanone 263.55
    propylene glycol 66.9
    isopropyl acetate 112.81
    DMAc 470.65
    2-ethoxyethanol 164.27
    isopentanol 103.46
    n-heptane 10.2
    ethyl formate 173.7
    1,2-dichloroethane 141.18
    n-hexanol 149.89
    2-methoxyethanol 292.02
    isobutyl acetate 75.5
    tetrachloromethane 54.14
    n-pentyl acetate 87.8
    transcutol 224.97
    n-heptanol 88.06
    ethylbenzene 35.0
    MIBK 138.9
    2-propoxyethanol 266.93
    tert-butanol 197.87
    MTBE 180.59
    2-butoxyethanol 146.42
    propionic acid 112.67
    o-xylene 42.21
    formic acid 62.56
    diethyl ether 155.11
    m-xylene 56.42
    p-xylene 47.69
    chlorobenzene 90.59
    dimethyl carbonate 138.19
    n-octane 5.88
    formamide 115.11
    cyclopentanone 565.61
    2-pentanone 281.5
    anisole 126.6
    cyclopentyl methyl ether 208.94
    gamma-butyrolactone 448.34
    1-methoxy-2-propanol 237.88
    pyridine 197.44
    3-pentanone 172.47
    furfural 280.6
    n-dodecane 5.3
    diethylene glycol 198.87
    diisopropyl ether 39.95
    tert-amyl alcohol 140.01
    acetylacetone 278.25
    n-hexadecane 6.03
    acetophenone 101.09
    methyl propionate 220.65
    isopentyl acetate 107.01
    trichloroethylene 297.85
    n-nonanol 63.51
    cyclohexanol 77.89
    benzyl alcohol 88.5
    2-ethylhexanol 77.12
    isooctanol 68.69
    dipropyl ether 85.83
    1,2-dichlorobenzene 79.93
    ethyl lactate 60.29
    propylene carbonate 188.79
    n-methylformamide 267.27
    2-pentanol 86.62
    n-pentane 4.52
    1-propoxy-2-propanol 171.14
    1-methoxy-2-propyl acetate 147.37
    2-(2-methoxypropoxy) propanol 99.53
    mesitylene 34.08
    ε-caprolactone 182.53
    p-cymene 32.27
    epichlorohydrin 428.04
    1,1,1-trichloroethane 188.35
    2-aminoethanol 92.43
    morpholine-4-carbaldehyde 306.6
    sulfolane 421.88
    2,2,4-trimethylpentane 6.39
    2-methyltetrahydrofuran 377.63
    n-hexyl acetate 107.92
    isooctane 6.6
    2-(2-butoxyethoxy)ethanol 134.94
    sec-butyl acetate 65.33
    tert-butyl acetate 132.23
    decalin 6.32
    glycerin 102.91
    diglyme 256.38
    acrylic acid 90.73
    isopropyl myristate 42.93
    n-butyric acid 165.46
    acetyl acetate 113.37
    di(2-ethylhexyl) phthalate 45.65
    ethyl propionate 92.97
    nitromethane 378.83
    1,2-diethoxyethane 111.09
    benzonitrile 94.07
    trioctyl phosphate 39.73
    1-bromopropane 76.81
    gamma-valerolactone 468.07
    n-decanol 47.95
    triethyl phosphate 46.76
    4-methyl-2-pentanol 60.36
    propionitrile 143.88
    vinylene carbonate 162.54
    1,1,2-trichlorotrifluoroethane 225.9
    DMS 82.71
    cumene 29.69
    2-octanol 62.58
    2-hexanone 144.41
    octyl acetate 59.7
    limonene 43.91
    1,2-dimethoxyethane 291.89
    ethyl orthosilicate 45.9
    tributyl phosphate 39.59
    diacetone alcohol 177.06
    N,N-dimethylaniline 83.11
    acrylonitrile 168.66
    aniline 100.66
    1,3-propanediol 143.23
    bromobenzene 82.31
    dibromomethane 110.73
    1,1,2,2-tetrachloroethane 220.81
    2-methyl-cyclohexyl acetate 70.98
    tetrabutyl urea 56.2
    diisobutyl methanol 48.83
    2-phenylethanol 119.02
    styrene 43.89
    dioctyl adipate 52.73
    dimethyl sulfate 204.3
    ethyl butyrate 83.29
    methyl lactate 111.79
    butyl lactate 71.39
    diethyl carbonate 56.89
    propanediol butyl ether 110.14
    triethyl orthoformate 59.79
    p-tert-butyltoluene 36.82
    methyl 4-tert-butylbenzoate 101.87
    morpholine 362.07
    tert-butylamine 91.07
    n-dodecanol 36.35
    dimethoxymethane 374.84
    ethylene carbonate 133.83
    cyrene 115.45
    2-ethoxyethyl acetate 117.75
    2-ethylhexyl acetate 81.59
    1,2,4-trichlorobenzene 97.83
    4-methylpyridine 198.02
    dibutyl ether 62.24
    2,6-dimethyl-4-heptanol 48.83
    DEF 204.97
    dimethyl isosorbide 178.39
    tetrachloroethylene 139.9
    eugenol 105.73
    triacetin 80.09
    span 80 93.32
    1,4-butanediol 61.11
    1,1-dichloroethane 179.14
    2-methyl-1-pentanol 77.28
    methyl formate 240.03
    2-methyl-1-butanol 95.3
    n-decane 8.69
    butyronitrile 147.01
    3,7-dimethyl-1-octanol 65.44
    1-chlorooctane 40.28
    1-chlorotetradecane 16.19
    n-nonane 8.0
    undecane 6.55
    tert-butylcyclohexane 9.44
    cyclooctane 2.53
    cyclopentanol 132.25
    tetrahydropyran 276.95
    tert-amyl methyl ether 109.56
    2,5,8-trioxanonane 173.52
    1-hexene 30.82
    2-isopropoxyethanol 119.7
    2,2,2-trifluoroethanol 74.26
    methyl butyrate 125.33

    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