4-Amino-3-Nitrophenol

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  • Identifiers

    CAS number
    610-81-1

    Molecular formula
    C6H6N2O3

    SMILES
    C1=CC(=C(C=C1O)[N+](=O)[O-])N

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 61.04%
    Sweet 34.36%
    Phenolic 27.56%
    Bitter 27.23%
    Powdery 23.53%
    Grape 23.49%
    Vanilla 22.7%
    Burnt 20.62%
    Milky 20.6%
    Animal 20.24%

     

    Flavor
    Bitter 67.24%
    Odorless 52.07%
    Mild 37.26%
    Bland 22.41%
    Phenolic 22.09%
    Nitrile 21.73%
    Sweet-like 21.31%
    Very mild 21.14%
    Nutty 20.78%
    Bread crust 20.68%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.9

    pKa est.
    8.41 (weak base)

    Molecular weight
    154.12 g/mol

    Flash point

    • 161.24 ˚C est.

  • Synonyms

    • 4-Amino-3-nitrophenol
    • 610-81-1
    • Phenol, 4-amino-3-nitro-
    • 3-Nitro-4-aminophenol
    • 2-Nitro-4-hydroxyaniline
    • 2-amino-5-hydroxynitrobenzene
    • R5WY41Q95Z
    • EINECS 210-236-8
    • NSC 400380
    • NSC-400380
    • IQXUIDYRTHQTET-UHFFFAOYSA-
    • DTXSID50209864
    • RefChem:517850
    • DTXCID00132355
    • 4-AMINO-3-NITROPHENOL [INCI]
    • 210-236-8
    • InChI=1/C6H6N2O3/c7-5-2-1-4(9)3-6(5)8(10)11/h1-3,9H,7H2
    • 4-Hydroxy-2-nitroaniline
    • 4-amino-3-nitro-phenol
    • MFCD00066310
    • Phenol, 4-amino-3-nitro
    • EN300-42789
    • 3-NITRO-4-AMINO PHENOL
    • UNII-R5WY41Q95Z
    • NSC400380
    • 4-amino-3-nitropbenol
    • 3-nitro-4-amino-phenol
    • 4-amino-3-nitro phenol
    • 4-azanyl-3-nitro-phenol
    • Esomeprazole Impurity 11
    • SCHEMBL24928
    • aniline, 4-hydroxy-2-nitro-
    • 4-Amino-3-nitrophenol, 98%
    • SCHEMBL14547836
    • SCHEMBL29622134
    • 1-amino-4-hydroxy-2-nitrobenzene
    • BDBM626171
    • CS-D1352
    • STR02932
    • MSK000718
    • NSC 40038
    • SBB063470
    • AKOS005151894
    • FA17540
    • AC-16153
    • BP-20101
    • SY004683
    • DB-053788
    • A1426
    • NS00008354
    • ST51037498
    • A833037
    • F078712
    • Q27287833
    • 2-Amino-5-hydroxynitrobenzene; 4-Hydroxy-2-nitroaniline
    • F0001-3832
    • Z431554226
    • 610-81-1

  • Applications

    4-Amino-3-Nitrophenol (CAS 610-81-1) is primarily used as an organic synthesis intermediate across several industrial sectors. It serves as a building block for dye and pigment chemistry, notably in the preparation of azo dyes and related colorants. It is also employed as a precursor in pharmaceutical and agrochemical development, providing routes to functionalized anilines and other heteroaromatic intermediates. In polymer, coatings, and inks applications, it is handled as a color-forming building block or linked to colorant systems for specialty formulations. Additionally, it finds use in research and development as a starting point for derivatization to targeted phenyl derivatives, subject to applicable regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 20.55
    methanol 38.49
    isopropanol 10.19
    water 1.97
    ethyl acetate 30.12
    n-propanol 12.31
    acetone 132.06
    n-butanol 11.78
    acetonitrile 34.36
    DMF 283.86
    toluene 0.85
    isobutanol 8.51
    1,4-dioxane 48.51
    methyl acetate 45.21
    THF 671.36
    2-butanone 70.25
    n-pentanol 12.68
    sec-butanol 9.05
    n-hexane 0.23
    ethylene glycol 24.05
    NMP 82.89
    cyclohexane 0.07
    DMSO 593.27
    n-butyl acetate 21.07
    n-octanol 11.32
    chloroform 4.95
    n-propyl acetate 22.18
    acetic acid 9.65
    dichloromethane 7.68
    cyclohexanone 35.66
    propylene glycol 11.67
    isopropyl acetate 14.6
    DMAc 216.63
    2-ethoxyethanol 57.12
    isopentanol 12.37
    n-heptane 0.44
    ethyl formate 40.57
    1,2-dichloroethane 12.16
    n-hexanol 17.31
    2-methoxyethanol 99.34
    isobutyl acetate 8.02
    tetrachloromethane 2.06
    n-pentyl acetate 11.61
    transcutol 32.17
    n-heptanol 12.46
    ethylbenzene 1.76
    MIBK 22.94
    2-propoxyethanol 62.96
    tert-butanol 22.68
    MTBE 12.78
    2-butoxyethanol 32.71
    propionic acid 9.64
    o-xylene 1.47
    formic acid 24.83
    diethyl ether 7.88
    m-xylene 1.64
    p-xylene 2.49
    chlorobenzene 2.28
    dimethyl carbonate 28.35
    n-octane 0.29
    formamide 58.89
    cyclopentanone 154.51
    2-pentanone 45.89
    anisole 16.88
    cyclopentyl methyl ether 22.67
    gamma-butyrolactone 123.62
    1-methoxy-2-propanol 55.33
    pyridine 13.66
    3-pentanone 21.98
    furfural 69.6
    n-dodecane 0.38
    diethylene glycol 70.02
    diisopropyl ether 2.26
    tert-amyl alcohol 18.74
    acetylacetone 71.26
    n-hexadecane 0.43
    acetophenone 18.98
    methyl propionate 33.32
    isopentyl acetate 16.35
    trichloroethylene 15.49
    n-nonanol 10.51
    cyclohexanol 4.27
    benzyl alcohol 11.45
    2-ethylhexanol 9.65
    isooctanol 9.15
    dipropyl ether 9.41
    1,2-dichlorobenzene 3.92
    ethyl lactate 16.9
    propylene carbonate 30.3
    n-methylformamide 94.09
    2-pentanol 5.57
    n-pentane 0.11
    1-propoxy-2-propanol 34.61
    1-methoxy-2-propyl acetate 28.97
    2-(2-methoxypropoxy) propanol 31.25
    mesitylene 1.45
    ε-caprolactone 25.87
    p-cymene 3.17
    epichlorohydrin 141.22
    1,1,1-trichloroethane 6.53
    2-aminoethanol 23.16
    morpholine-4-carbaldehyde 81.24
    sulfolane 143.07
    2,2,4-trimethylpentane 0.2
    2-methyltetrahydrofuran 58.3
    n-hexyl acetate 15.27
    isooctane 0.23
    2-(2-butoxyethoxy)ethanol 35.15
    sec-butyl acetate 9.63
    tert-butyl acetate 19.29
    decalin 0.27
    glycerin 29.74
    diglyme 72.84
    acrylic acid 9.58
    isopropyl myristate 7.36
    n-butyric acid 13.71
    acetyl acetate 14.07
    di(2-ethylhexyl) phthalate 8.24
    ethyl propionate 22.64
    nitromethane 108.7
    1,2-diethoxyethane 14.28
    benzonitrile 10.69
    trioctyl phosphate 8.19
    1-bromopropane 3.1
    gamma-valerolactone 103.21
    n-decanol 8.53
    triethyl phosphate 10.84
    4-methyl-2-pentanol 5.58
    propionitrile 19.36
    vinylene carbonate 20.2
    1,1,2-trichlorotrifluoroethane 50.82
    DMS 14.29
    cumene 2.13
    2-octanol 7.41
    2-hexanone 35.77
    octyl acetate 10.83
    limonene 3.49
    1,2-dimethoxyethane 135.48
    ethyl orthosilicate 9.03
    tributyl phosphate 8.03
    diacetone alcohol 42.28
    N,N-dimethylaniline 11.68
    acrylonitrile 32.09
    aniline 3.18
    1,3-propanediol 29.39
    bromobenzene 1.66
    dibromomethane 3.43
    1,1,2,2-tetrachloroethane 14.32
    2-methyl-cyclohexyl acetate 11.76
    tetrabutyl urea 15.08
    diisobutyl methanol 6.11
    2-phenylethanol 17.22
    styrene 1.62
    dioctyl adipate 10.43
    dimethyl sulfate 64.17
    ethyl butyrate 17.39
    methyl lactate 27.91
    butyl lactate 12.04
    diethyl carbonate 11.97
    propanediol butyl ether 21.68
    triethyl orthoformate 10.83
    p-tert-butyltoluene 3.11
    methyl 4-tert-butylbenzoate 20.25
    morpholine 50.47
    tert-butylamine 6.63
    n-dodecanol 6.33
    dimethoxymethane 132.81
    ethylene carbonate 16.66
    cyrene 34.27
    2-ethoxyethyl acetate 15.67
    2-ethylhexyl acetate 11.06
    1,2,4-trichlorobenzene 4.79
    4-methylpyridine 13.66
    dibutyl ether 6.56
    2,6-dimethyl-4-heptanol 6.11
    DEF 46.06
    dimethyl isosorbide 53.43
    tetrachloroethylene 7.99
    eugenol 24.6
    triacetin 12.68
    span 80 16.51
    1,4-butanediol 17.22
    1,1-dichloroethane 5.72
    2-methyl-1-pentanol 10.91
    methyl formate 103.62
    2-methyl-1-butanol 9.92
    n-decane 0.53
    butyronitrile 20.03
    3,7-dimethyl-1-octanol 9.33
    1-chlorooctane 3.22
    1-chlorotetradecane 1.55
    n-nonane 0.41
    undecane 0.45
    tert-butylcyclohexane 0.36
    cyclooctane 0.07
    cyclopentanol 13.42
    tetrahydropyran 15.75
    tert-amyl methyl ether 10.26
    2,5,8-trioxanonane 56.16
    1-hexene 1.28
    2-isopropoxyethanol 29.47
    2,2,2-trifluoroethanol 14.35
    methyl butyrate 34.71

    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