N,N'-Bis(2-hydroxyethyl)-2-nitro-p-phenylenediamine

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  • Identifiers

    CAS number
    84041-77-0

    Molecular formula
    C10H15N3O4

    SMILES
    C1=CC(=C(C=C1NCCO)[N+](=O)[O-])NCCO

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 55.51%
    Sweet 33.2%
    Fishy 30.44%
    Savory 28.3%
    Meaty 21.45%
    Animal 19.23%
    Cooling 18.24%
    Alcoholic 18.24%
    Milky 18.19%
    Bitter 17.8%

     

    Flavor
    Odorless 63.25%
    Bitter 48.7%
    Mild 35.96%
    Bland 27.26%
    Sweet-like 25.54%
    Very mild 23.98%
    Yeast 21.06%
    Faint 20.24%
    Orange flower 20.05%
    Nitrile 19.8%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.0

    pKa est.
    8.24 (weak base)

    Molecular weight
    241.24 g/mol

    Flash point

    • 252.95 ˚C est.

  • Synonyms

    • 84041-77-0
    • N,N'-Bis(2-hydroxyethyl)-2-nitro-p-phenylenediamine
    • jarocol violet 14d
    • HC Violet BS
    • EINECS 281-856-4
    • COLOREX VBS
    • 3X0E669O5S
    • VELSOL VIOLET BS
    • DTXSID90232939
    • COVARIANE POURPRE W 5121
    • 2,2'-[(2-Nitro-1,4-phenylene)diimino]bis[ethanol]
    • Ethanol, 2,2'-((2-nitro-1,4-phenylene)diimino)bis-
    • 2,2'-((2-Nitro-1,4-phenylene)diimino)bisethanol
    • 2,2'-[(2-nitro-1,4-phenylene)diimino]bisethanol
    • Ethanol, 2,2'-[(2-nitro-1,4-phenylene)diimino]bis-
    • 2,2'-((2-Nitro-1,4-phenylene)diimino)bis(ethanol)
    • RefChem:821751
    • DTXCID70155430
    • N,N'-BIS(2-HYDROXYETHYL)-2-NITRO-P-PHENYLENEDIAMINE [INCI]
    • 2,2'-((2-Nitro-1,4-phenylene)bis(azanediyl))diethanol
    • BIS-1,4-(2-HYDROXYETHYLAMINO)-2-NITROBENZENE
    • MFCD00239474
    • 2-[4-(2-hydroxyethylamino)-3-nitroanilino]ethanol
    • UNII-3X0E669O5S
    • N,N'-Bis(2-hydroxyethyl)-2-nitro-4-phenylenediamine
    • SCHEMBL127370
    • 2-[4-(2-hydroxyethylamino)-3-nitro-anilino]ethanol
    • Bis-1,4-(2-Hydroxyethylamino)-2-NitrobenzeneSulphate
    • SCHEMBL29392416
    • AKOS015890004
    • AC-8297
    • AS-12432
    • SY105083
    • CS-0137544
    • NS00013897
    • 041B770
    • n,n'-bis(hydroxyethyl)-2-nitro-p-phenylenediamine
    • Q27258153
    • 2,2-((2-Nitro-1,4-phenylene)bis(azanediyl))diethanol
    • 2,2\'-((2-Nitro-1,4-phenylene)bis(azanediyl))diethanol
    • 2,2'-[(2-Nitro-1,4-phenylene)bis(azanediyl)]di(ethan-1-ol)
    • N1,N4-BIS(2-HYDROXYETHYL)-2-NITRO-P-PHENYLENEDIAMINE
    • 2,2'-((2-Nitro-1,4-phenylene)bis(azanediyl))bis(ethan-1-ol)
    • 1-(beta-hydroxyethyl)amino-2-nitro-4-[(beta-hydroxyethyl)amino]benzene
    • 2 pound not2'-((2-Nitro-1 pound not4-phenylene)bis(azanediyl))diethanol
    • 2,2 inverted exclamation mark -[(2-Nitro-1,4-phenylene)bis(azanediyl)]diethanol
    • 84041-77-0

  • Applications

    N,N'-Bis(2-hydroxyethyl)-2-nitro-p-phenylenediamine (CAS 84041-77-0) is primarily used as an intermediate in the synthesis of colorants and specialty dyes, serving as a building block for textile, coatings, and pigment applications. The molecule's two hydroxyethyl substituents and the p-phenylenediamine backbone also make it a multifunctional building block for polymer formulations, potentially participating in crosslinking with isocyanates or epoxy groups in polyurethane and epoxy resin systems to enhance color stability and material compatibility. In coatings, inks, and adhesives, it can function as a color-active component and reactive additive that contributes to pigmentation and color fastness in industrial formulations. It is also evaluated as a hair-dye precursor or cosmetic-colorant intermediate in regulated applications, with use subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 6.49
    methanol 18.08
    isopropanol 2.87
    water 3.95
    ethyl acetate 6.15
    n-propanol 4.21
    acetone 15.22
    n-butanol 3.4
    acetonitrile 4.86
    DMF 130.36
    toluene 0.98
    isobutanol 2.8
    1,4-dioxane 5.36
    methyl acetate 7.45
    THF 16.8
    2-butanone 8.06
    n-pentanol 3.77
    sec-butanol 2.68
    n-hexane 0.07
    ethylene glycol 20.36
    NMP 152.22
    cyclohexane 0.12
    DMSO 362.69
    n-butyl acetate 4.68
    n-octanol 1.61
    chloroform 2.04
    n-propyl acetate 4.18
    acetic acid 38.85
    dichloromethane 3.99
    cyclohexanone 20.28
    propylene glycol 15.58
    isopropyl acetate 3.93
    DMAc 210.38
    2-ethoxyethanol 24.31
    isopentanol 3.88
    n-heptane 0.14
    ethyl formate 9.65
    1,2-dichloroethane 5.21
    n-hexanol 3.91
    2-methoxyethanol 44.55
    isobutyl acetate 2.3
    tetrachloromethane 0.7
    n-pentyl acetate 2.52
    transcutol 33.24
    n-heptanol 2.4
    ethylbenzene 0.97
    MIBK 4.63
    2-propoxyethanol 18.37
    tert-butanol 5.68
    MTBE 1.63
    2-butoxyethanol 9.75
    propionic acid 14.05
    o-xylene 1.81
    formic acid 77.3
    diethyl ether 0.92
    m-xylene 1.41
    p-xylene 1.43
    chlorobenzene 1.54
    dimethyl carbonate 9.69
    n-octane 0.08
    formamide 92.63
    cyclopentanone 32.29
    2-pentanone 6.04
    anisole 3.07
    cyclopentyl methyl ether 4.18
    gamma-butyrolactone 51.53
    1-methoxy-2-propanol 23.02
    pyridine 7.48
    3-pentanone 5.13
    furfural 42.86
    n-dodecane 0.09
    diethylene glycol 35.16
    diisopropyl ether 0.58
    tert-amyl alcohol 5.05
    acetylacetone 17.55
    n-hexadecane 0.1
    acetophenone 9.01
    methyl propionate 9.7
    isopentyl acetate 4.94
    trichloroethylene 9.43
    n-nonanol 1.82
    cyclohexanol 4.36
    benzyl alcohol 8.0
    2-ethylhexanol 2.72
    isooctanol 2.18
    dipropyl ether 1.64
    1,2-dichlorobenzene 2.53
    ethyl lactate 11.14
    propylene carbonate 21.36
    n-methylformamide 48.54
    2-pentanol 1.66
    n-pentane 0.06
    1-propoxy-2-propanol 10.85
    1-methoxy-2-propyl acetate 11.14
    2-(2-methoxypropoxy) propanol 14.71
    mesitylene 1.13
    ε-caprolactone 19.87
    p-cymene 1.61
    epichlorohydrin 24.52
    1,1,1-trichloroethane 2.21
    2-aminoethanol 18.89
    morpholine-4-carbaldehyde 63.58
    sulfolane 112.23
    2,2,4-trimethylpentane 0.11
    2-methyltetrahydrofuran 6.17
    n-hexyl acetate 3.21
    isooctane 0.07
    2-(2-butoxyethoxy)ethanol 15.01
    sec-butyl acetate 2.72
    tert-butyl acetate 5.43
    decalin 0.18
    glycerin 47.75
    diglyme 26.87
    acrylic acid 21.32
    isopropyl myristate 1.75
    n-butyric acid 12.62
    acetyl acetate 6.97
    di(2-ethylhexyl) phthalate 4.67
    ethyl propionate 4.56
    nitromethane 65.18
    1,2-diethoxyethane 4.41
    benzonitrile 5.49
    trioctyl phosphate 3.25
    1-bromopropane 0.95
    gamma-valerolactone 48.33
    n-decanol 1.49
    triethyl phosphate 5.97
    4-methyl-2-pentanol 1.7
    propionitrile 3.43
    vinylene carbonate 17.79
    1,1,2-trichlorotrifluoroethane 47.08
    DMS 8.35
    cumene 1.06
    2-octanol 1.15
    2-hexanone 4.33
    octyl acetate 2.55
    limonene 2.02
    1,2-dimethoxyethane 20.18
    ethyl orthosilicate 4.67
    tributyl phosphate 3.91
    diacetone alcohol 15.7
    N,N-dimethylaniline 4.26
    acrylonitrile 9.24
    aniline 3.84
    1,3-propanediol 20.74
    bromobenzene 1.11
    dibromomethane 1.89
    1,1,2,2-tetrachloroethane 7.86
    2-methyl-cyclohexyl acetate 6.13
    tetrabutyl urea 7.12
    diisobutyl methanol 1.79
    2-phenylethanol 7.3
    styrene 1.0
    dioctyl adipate 4.7
    dimethyl sulfate 41.93
    ethyl butyrate 5.04
    methyl lactate 23.89
    butyl lactate 6.61
    diethyl carbonate 4.92
    propanediol butyl ether 10.79
    triethyl orthoformate 4.73
    p-tert-butyltoluene 1.43
    methyl 4-tert-butylbenzoate 10.45
    morpholine 10.48
    tert-butylamine 1.6
    n-dodecanol 1.19
    dimethoxymethane 19.66
    ethylene carbonate 13.41
    cyrene 28.63
    2-ethoxyethyl acetate 5.48
    2-ethylhexyl acetate 3.42
    1,2,4-trichlorobenzene 4.09
    4-methylpyridine 6.74
    dibutyl ether 1.07
    2,6-dimethyl-4-heptanol 1.79
    DEF 20.65
    dimethyl isosorbide 25.16
    tetrachloroethylene 5.46
    eugenol 11.97
    triacetin 8.85
    span 80 10.13
    1,4-butanediol 12.0
    1,1-dichloroethane 1.67
    2-methyl-1-pentanol 4.25
    methyl formate 32.14
    2-methyl-1-butanol 3.59
    n-decane 0.11
    butyronitrile 2.93
    3,7-dimethyl-1-octanol 2.16
    1-chlorooctane 0.56
    1-chlorotetradecane 0.33
    n-nonane 0.09
    undecane 0.1
    tert-butylcyclohexane 0.14
    cyclooctane 0.08
    cyclopentanol 6.33
    tetrahydropyran 2.39
    tert-amyl methyl ether 2.23
    2,5,8-trioxanonane 23.91
    1-hexene 0.32
    2-isopropoxyethanol 11.7
    2,2,2-trifluoroethanol 28.66
    methyl butyrate 7.15

    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