2-Chloro-6-(ethylamino)-4-nitrophenol

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  • Identifiers

    CAS number
    131657-78-8

    Molecular formula
    C8H9ClN2O3

    SMILES
    CCNC1=C(C(=CC(=C1)[N+](=O)[O-])Cl)O

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Odorless 66.11%
    Savory 28.53%
    Meaty 24.09%
    Burnt 22.21%
    Milky 20.62%
    Bitter 19.89%
    Animal 18.2%
    Cooling 18.07%
    Cooked 18.03%
    Cheesy 16.67%

     

    Flavor
    Bitter 65.25%
    Odorless 49.98%
    Mild 34.05%
    Bland 24.26%
    Sweet-like 21.67%
    Nitrile 20.39%
    Orange flower 20.16%
    Bread crust 19.48%
    Scallion 19.22%
    Yeast 19.19%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    8.6 (weak base)

    Molecular weight
    216.62 g/mol

    Flash point

    • 170.9 ˚C est.

  • Synonyms

    • 2-Chloro-6-(ethylamino)-4-nitrophenol
    • 2-CHLORO-6-ETHYLAMINO-4-NITROPHENOL
    • UNII-5LIV96LADQ
    • 5LIV96LADQ
    • 6-Chloro-2-(ethylamino)-4-nitrophenol
    • Phenol, 2-chloro-6-(ethylamino)-4-nitro-
    • 2-Chloro-6-ethylamino-4-nitrophenol [INCI]
    • DTXSID00157169
    • EC 411-440-1
    • RefChem:86320
    • DTXCID7079660
    • 411-440-1
    • 131657-78-8
    • MFCD11111995
    • SCHEMBL24684
    • CDFNUSAXZDSXKF-UHFFFAOYSA-N
    • AKOS015891346
    • BS-49681
    • 2-chloranyl-6-(ethylamino)-4-nitro-phenol
    • DB-062839
    • CS-0151978
    • NS00004974
    • D94862
    • 657C788
    • Q27262527
    • 131657-78-8

  • Applications

    2-Chloro-6-(ethylamino)-4-nitrophenol (CAS 131657-78-8) is primarily used as an intermediate in organic synthesis, serving as a building block for dye and pigment precursors as well as precursors for pharmaceutical and agrochemical compounds. It may be used as a component in coatings and inks formulations due to its ability to undergo functional modifications on an activated aromatic halide. In research and development, it is used as a reagent to explore structure–activity relationships and to prepare functional materials at laboratory scale. Its use is typically subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 77.34
    methanol 92.1
    isopropanol 48.9
    water 0.63
    ethyl acetate 227.67
    n-propanol 51.14
    acetone 608.8
    n-butanol 40.63
    acetonitrile 199.03
    DMF 1416.42
    toluene 49.65
    isobutanol 34.81
    1,4-dioxane 221.16
    methyl acetate 350.64
    THF 555.66
    2-butanone 396.21
    n-pentanol 36.94
    sec-butanol 53.91
    n-hexane 1.43
    ethylene glycol 46.96
    NMP 1205.23
    cyclohexane 2.45
    DMSO 1704.41
    n-butyl acetate 134.56
    n-octanol 18.83
    chloroform 83.43
    n-propyl acetate 135.25
    acetic acid 179.39
    dichloromethane 209.48
    cyclohexanone 305.44
    propylene glycol 37.78
    isopropyl acetate 110.27
    DMAc 1093.16
    2-ethoxyethanol 144.5
    isopentanol 41.42
    n-heptane 2.62
    ethyl formate 146.92
    1,2-dichloroethane 217.28
    n-hexanol 40.3
    2-methoxyethanol 238.67
    isobutyl acetate 53.32
    tetrachloromethane 13.23
    n-pentyl acetate 70.05
    transcutol 368.82
    n-heptanol 21.36
    ethylbenzene 31.69
    MIBK 93.77
    2-propoxyethanol 120.93
    tert-butanol 74.07
    MTBE 111.27
    2-butoxyethanol 66.57
    propionic acid 105.11
    o-xylene 45.87
    formic acid 141.61
    diethyl ether 84.77
    m-xylene 35.03
    p-xylene 40.97
    chlorobenzene 73.51
    dimethyl carbonate 184.49
    n-octane 1.03
    formamide 416.32
    cyclopentanone 625.64
    2-pentanone 221.23
    anisole 138.0
    cyclopentyl methyl ether 157.71
    gamma-butyrolactone 721.83
    1-methoxy-2-propanol 161.26
    pyridine 278.02
    3-pentanone 195.71
    furfural 544.29
    n-dodecane 0.91
    diethylene glycol 123.85
    diisopropyl ether 23.39
    tert-amyl alcohol 82.13
    acetylacetone 391.26
    n-hexadecane 1.1
    acetophenone 193.32
    methyl propionate 254.6
    isopentyl acetate 93.92
    trichloroethylene 409.57
    n-nonanol 18.32
    cyclohexanol 45.96
    benzyl alcohol 93.96
    2-ethylhexanol 29.13
    isooctanol 17.18
    dipropyl ether 38.31
    1,2-dichlorobenzene 82.59
    ethyl lactate 72.37
    propylene carbonate 266.7
    n-methylformamide 439.95
    2-pentanol 33.09
    n-pentane 1.71
    1-propoxy-2-propanol 85.56
    1-methoxy-2-propyl acetate 158.62
    2-(2-methoxypropoxy) propanol 98.37
    mesitylene 19.66
    ε-caprolactone 258.31
    p-cymene 24.81
    epichlorohydrin 602.75
    1,1,1-trichloroethane 106.11
    2-aminoethanol 55.13
    morpholine-4-carbaldehyde 612.0
    sulfolane 1014.47
    2,2,4-trimethylpentane 2.39
    2-methyltetrahydrofuran 315.28
    n-hexyl acetate 82.46
    isooctane 1.27
    2-(2-butoxyethoxy)ethanol 108.21
    sec-butyl acetate 80.39
    tert-butyl acetate 125.31
    decalin 2.94
    glycerin 76.83
    diglyme 266.06
    acrylic acid 138.63
    isopropyl myristate 28.73
    n-butyric acid 95.09
    acetyl acetate 165.68
    di(2-ethylhexyl) phthalate 38.67
    ethyl propionate 118.8
    nitromethane 834.93
    1,2-diethoxyethane 111.97
    benzonitrile 115.33
    trioctyl phosphate 25.17
    1-bromopropane 54.08
    gamma-valerolactone 594.26
    n-decanol 14.27
    triethyl phosphate 55.38
    4-methyl-2-pentanol 20.93
    propionitrile 91.89
    vinylene carbonate 211.88
    1,1,2-trichlorotrifluoroethane 298.93
    DMS 146.92
    cumene 21.18
    2-octanol 14.56
    2-hexanone 128.94
    octyl acetate 42.93
    limonene 35.52
    1,2-dimethoxyethane 271.57
    ethyl orthosilicate 42.7
    tributyl phosphate 34.96
    diacetone alcohol 157.56
    N,N-dimethylaniline 99.73
    acrylonitrile 197.39
    aniline 95.71
    1,3-propanediol 68.63
    bromobenzene 61.59
    dibromomethane 95.68
    1,1,2,2-tetrachloroethane 227.82
    2-methyl-cyclohexyl acetate 73.14
    tetrabutyl urea 51.94
    diisobutyl methanol 17.29
    2-phenylethanol 78.87
    styrene 43.7
    dioctyl adipate 59.35
    dimethyl sulfate 441.12
    ethyl butyrate 95.9
    methyl lactate 133.92
    butyl lactate 57.66
    diethyl carbonate 70.58
    propanediol butyl ether 66.41
    triethyl orthoformate 56.56
    p-tert-butyltoluene 22.75
    methyl 4-tert-butylbenzoate 99.49
    morpholine 262.57
    tert-butylamine 30.64
    n-dodecanol 10.84
    dimethoxymethane 375.13
    ethylene carbonate 149.85
    cyrene 160.93
    2-ethoxyethyl acetate 146.04
    2-ethylhexyl acetate 76.72
    1,2,4-trichlorobenzene 112.88
    4-methylpyridine 280.54
    dibutyl ether 26.62
    2,6-dimethyl-4-heptanol 17.29
    DEF 335.34
    dimethyl isosorbide 211.13
    tetrachloroethylene 139.43
    eugenol 93.17
    triacetin 131.51
    span 80 63.34
    1,4-butanediol 36.93
    1,1-dichloroethane 115.55
    2-methyl-1-pentanol 39.39
    methyl formate 395.61
    2-methyl-1-butanol 43.01
    n-decane 1.48
    butyronitrile 69.24
    3,7-dimethyl-1-octanol 22.24
    1-chlorooctane 11.11
    1-chlorotetradecane 4.51
    n-nonane 1.25
    undecane 1.16
    tert-butylcyclohexane 2.67
    cyclooctane 1.05
    cyclopentanol 78.64
    tetrahydropyran 138.81
    tert-amyl methyl ether 97.73
    2,5,8-trioxanonane 176.81
    1-hexene 10.75
    2-isopropoxyethanol 92.19
    2,2,2-trifluoroethanol 114.04
    methyl butyrate 165.31

    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