Benzoic acid, 2-((4-amino-2-nitrophenyl)amino)-

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  • Identifiers

    CAS number
    117907-43-4

    Molecular formula
    C13H11N3O4

    SMILES
    C1=CC=C(C(=C1)C(=O)O)NC2=C(C=C(C=C2)N)[N+](=O)[O-]

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Grape 56.92%
    Odorless 46.01%
    Fruity 45.49%
    Floral 31.56%
    Neroli 31.11%
    Sweet 28.79%
    Citrus 26.14%
    Orange 26.1%
    Bitter 24.13%
    Powdery 23.66%

     

    Flavor
    Bitter 58.81%
    Odorless 55.19%
    Mild 38.98%
    Very mild 23.11%
    Orange flower 21.35%
    Bland 21.16%
    Nitrile 21.11%
    Yeast 20.97%
    Orange blossom 20.54%
    Sweet-like 20.35%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.9

    pKa est.
    6.77 (neutral)

    Molecular weight
    273.24 g/mol

    Flash point

    • 249.52 ˚C est.

  • Synonyms

    • 117907-43-4
    • 4-Amino-2-nitrodiphenylamine-2'-carboxylic acid
    • 2-((4-Amino-2-nitrophenyl)amino)benzoic acid
    • GZJ1P1FS40
    • Benzoic acid, 2-((4-amino-2-nitrophenyl)amino)-
    • DTXSID70151952
    • 4-Amino-2-nitrodiphenylamine-2'-carboxylic acid [INCI]
    • Benzoic acid, 2-[(4-amino-2-nitrophenyl)amino]-
    • 2-[(4-amino-2-nitrophenyl)amino]benzoic acid
    • RefChem:565356
    • DTXCID8074443
    • Benzoic acid, 2-(4-amino-2-nitrophenyl)amino-
    • 411-260-3
    • 2-(4-amino-2-nitroanilino)benzoic acid
    • UNII-GZJ1P1FS40
    • 4-Amino-2-Nitrodiphenylamine-2-Carboxylic acid
    • 4-Amino-2-nitrodiphenylamine-2/'-carboxylic acid
    • SCHEMBL23567
    • SCHEMBL29377063
    • SCHEMBL29785279
    • YESOPQNVGIQNEV-UHFFFAOYSA-N
    • AKOS015914332
    • NS00021541
    • 2-((4-Amino-2-nitrophenyl)amino)benzoicacid
    • 907A434
    • Q27279379
    • 117907-43-4

  • Applications

    Benzoic acid, 2-((4-amino-2-nitrophenyl)amino)- (CAS 117907-43-4) is primarily used as an organic synthesis intermediate, notably in the production of azo dyes and related pigments. It serves as a building block in dye chemistry for textiles, coatings, and inks. It is also evaluated as a precursor for functional materials in polymers and specialty electronics, where arylamino benzoic derivatives are used in dyeing, coloring, or as coupling partners in polymerization. In addition, it may be encountered in research and development settings for dye and pigment synthesis, and could be used for analytical references or process development under appropriate regulatory controls.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 9.43
    methanol 13.23
    isopropanol 6.14
    water 0.03
    ethyl acetate 14.86
    n-propanol 8.21
    acetone 50.61
    n-butanol 6.5
    acetonitrile 8.05
    DMF 121.64
    toluene 1.33
    isobutanol 3.47
    1,4-dioxane 11.89
    methyl acetate 19.12
    THF 180.83
    2-butanone 53.61
    n-pentanol 5.73
    sec-butanol 5.64
    n-hexane 0.01
    ethylene glycol 5.93
    NMP 79.83
    cyclohexane 0.01
    DMSO 236.94
    n-butyl acetate 9.28
    n-octanol 1.07
    chloroform 0.4
    n-propyl acetate 8.71
    acetic acid 13.94
    dichloromethane 0.35
    cyclohexanone 28.72
    propylene glycol 10.03
    isopropyl acetate 7.89
    DMAc 213.57
    2-ethoxyethanol 39.41
    isopentanol 6.74
    n-heptane 0.02
    ethyl formate 8.82
    1,2-dichloroethane 1.1
    n-hexanol 4.71
    2-methoxyethanol 92.66
    isobutyl acetate 2.95
    tetrachloromethane 0.12
    n-pentyl acetate 3.75
    transcutol 48.14
    n-heptanol 2.64
    ethylbenzene 0.66
    MIBK 11.33
    2-propoxyethanol 41.6
    tert-butanol 10.44
    MTBE 3.33
    2-butoxyethanol 16.33
    propionic acid 8.66
    o-xylene 1.0
    formic acid 16.15
    diethyl ether 2.04
    m-xylene 1.05
    p-xylene 0.94
    chlorobenzene 0.68
    dimethyl carbonate 13.52
    n-octane 0.01
    formamide 44.41
    cyclopentanone 88.47
    2-pentanone 27.74
    anisole 5.98
    cyclopentyl methyl ether 8.62
    gamma-butyrolactone 66.48
    1-methoxy-2-propanol 59.36
    pyridine 11.93
    3-pentanone 12.55
    furfural 34.25
    n-dodecane 0.03
    diethylene glycol 39.32
    diisopropyl ether 0.46
    tert-amyl alcohol 8.43
    acetylacetone 36.86
    n-hexadecane 0.03
    acetophenone 10.58
    methyl propionate 19.97
    isopentyl acetate 7.97
    trichloroethylene 3.29
    n-nonanol 1.33
    cyclohexanol 2.65
    benzyl alcohol 7.71
    2-ethylhexanol 2.4
    isooctanol 2.12
    dipropyl ether 2.46
    1,2-dichlorobenzene 0.86
    ethyl lactate 12.26
    propylene carbonate 16.72
    n-methylformamide 41.58
    2-pentanol 2.86
    n-pentane 0.01
    1-propoxy-2-propanol 25.03
    1-methoxy-2-propyl acetate 21.7
    2-(2-methoxypropoxy) propanol 20.08
    mesitylene 0.57
    ε-caprolactone 21.99
    p-cymene 0.93
    epichlorohydrin 53.95
    1,1,1-trichloroethane 0.86
    2-aminoethanol 11.85
    morpholine-4-carbaldehyde 54.22
    sulfolane 103.43
    2,2,4-trimethylpentane 0.03
    2-methyltetrahydrofuran 25.07
    n-hexyl acetate 3.92
    isooctane 0.03
    2-(2-butoxyethoxy)ethanol 25.13
    sec-butyl acetate 4.88
    tert-butyl acetate 10.44
    decalin 0.03
    glycerin 26.7
    diglyme 43.66
    acrylic acid 9.53
    isopropyl myristate 2.13
    n-butyric acid 12.52
    acetyl acetate 6.29
    di(2-ethylhexyl) phthalate 4.15
    ethyl propionate 8.92
    nitromethane 57.06
    1,2-diethoxyethane 8.56
    benzonitrile 4.47
    trioctyl phosphate 2.67
    1-bromopropane 0.38
    gamma-valerolactone 84.58
    n-decanol 1.14
    triethyl phosphate 5.01
    4-methyl-2-pentanol 2.35
    propionitrile 6.19
    vinylene carbonate 10.46
    1,1,2-trichlorotrifluoroethane 35.35
    DMS 7.12
    cumene 0.56
    2-octanol 1.16
    2-hexanone 14.72
    octyl acetate 3.12
    limonene 1.07
    1,2-dimethoxyethane 51.49
    ethyl orthosilicate 3.93
    tributyl phosphate 3.21
    diacetone alcohol 34.51
    N,N-dimethylaniline 4.05
    acrylonitrile 11.58
    aniline 4.5
    1,3-propanediol 24.75
    bromobenzene 0.44
    dibromomethane 0.2
    1,1,2,2-tetrachloroethane 3.24
    2-methyl-cyclohexyl acetate 6.14
    tetrabutyl urea 6.34
    diisobutyl methanol 1.73
    2-phenylethanol 8.47
    styrene 0.75
    dioctyl adipate 4.99
    dimethyl sulfate 32.76
    ethyl butyrate 7.59
    methyl lactate 26.11
    butyl lactate 7.74
    diethyl carbonate 4.98
    propanediol butyl ether 12.74
    triethyl orthoformate 5.72
    p-tert-butyltoluene 0.87
    methyl 4-tert-butylbenzoate 11.49
    morpholine 30.69
    tert-butylamine 1.63
    n-dodecanol 0.87
    dimethoxymethane 63.53
    ethylene carbonate 8.19
    cyrene 25.34
    2-ethoxyethyl acetate 8.81
    2-ethylhexyl acetate 5.07
    1,2,4-trichlorobenzene 1.71
    4-methylpyridine 10.92
    dibutyl ether 1.29
    2,6-dimethyl-4-heptanol 1.73
    DEF 26.89
    dimethyl isosorbide 38.19
    tetrachloroethylene 1.59
    eugenol 13.61
    triacetin 7.96
    span 80 11.15
    1,4-butanediol 7.36
    1,1-dichloroethane 0.64
    2-methyl-1-pentanol 5.46
    methyl formate 27.75
    2-methyl-1-butanol 5.34
    n-decane 0.03
    butyronitrile 5.66
    3,7-dimethyl-1-octanol 1.76
    1-chlorooctane 0.25
    1-chlorotetradecane 0.16
    n-nonane 0.02
    undecane 0.03
    tert-butylcyclohexane 0.04
    cyclooctane 0.01
    cyclopentanol 6.64
    tetrahydropyran 5.83
    tert-amyl methyl ether 3.7
    2,5,8-trioxanonane 34.64
    1-hexene 0.18
    2-isopropoxyethanol 19.05
    2,2,2-trifluoroethanol 6.79
    methyl butyrate 13.05

    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