4-Nitrophenyl aminoethylurea

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  • Identifiers

    CAS number
    27080-42-8

    Molecular formula
    C9H12N4O3

    SMILES
    C1=CC(=CC=C1NCCNC(=O)N)[N+](=O)[O-]

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 66.49%
    Savory 38.64%
    Meaty 34.05%
    Fishy 29.48%
    Cooked 24.94%
    Cheesy 23.42%
    Cooling 20.79%
    Animal 19.09%
    Ripe 17.45%
    Milky 17.01%

     

    Flavor
    Odorless 59.93%
    Bitter 47.94%
    Mild 35.46%
    Bland 25.38%
    Faint 21.63%
    Yeast 21.35%
    Very mild 21.19%
    Sweet-like 21.11%
    Nitrile 20.65%
    Orange flower 19.87%

     

    Odor impact est.
    Odorless

  • Properties

    XLogP3-AA
    0.5

    pKa est.
    7.82 (neutral)

    Molecular weight
    224.22 g/mol

    Flash point

    • 236.6 ˚C est.

  • Synonyms

    • 4-Nitrophenyl aminoethylurea
    • 1G48T8PRLV
    • 1-(2-Ureidoethylamino)-4-nitrobenzene
    • Urea, (2-((4-nitrophenyl)amino)ethyl)-
    • (2-((4-Nitrophenyl)amino)ethyl)urea
    • [2-[(4-nitrophenyl)amino]ethyl]urea
    • DTXSID80873916
    • UREA, N-(2-((4-NITROPHENYL)AMINO)ETHYL)-
    • Urea, [2-[(4-nitrophenyl)amino]ethyl]-
    • RefChem:525985
    • DTXCID801777602
    • Urea, 2-(4-nitrophenyl)aminoethyl-
    • 4-NITROPHENYL AMINOETHYLUREA [INCI]
    • 410-700-1
    • 27080-42-8
    • Urea, (2-(p-nitroanilino)ethyl)-
    • UNII-1G48T8PRLV
    • (2-(p-Nitroanilino)ethyl)urea
    • 1-(2-((4-nitrophenyl)amino)ethyl)urea
    • EC 410-700-1
    • 1-{2-[(4-nitrophenyl)amino]ethyl}urea
    • 2-(4-nitroanilino)ethylurea
    • SCHEMBL24648
    • N-[2-(4-Nitroanilino)ethyl]urea
    • STK206140
    • AKOS000424902
    • NS00003776
    • para-[N-(beta-ureidoethyl)]amino nitrobenzene
    • Q27252381
    • 27080-42-8

  • Applications

    Chemical name: 4-Nitrophenyl aminoethylurea; CAS number: 27080-42-8 is typically used as an intermediate in chemical synthesis, serving as a building block for urethane/urea linkages in polymers and coatings; it can function as a reactive starting material for pharmaceutical and fine-chemical synthesis; the 4-nitrophenyl group provides a leaving group that enables conjugation steps and can be exploited in labeling or activation strategies in materials research; it may also be used as a functional monomer or crosslinking component in polyurethane/urea polymer systems and related adhesives; its use is highly formulation-dependent and subject to local regulations and handling guidelines.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.64
    methanol 4.07
    isopropanol 0.72
    water 0.49
    ethyl acetate 0.66
    n-propanol 0.81
    acetone 2.4
    n-butanol 0.52
    acetonitrile 0.66
    DMF 71.81
    toluene 0.07
    isobutanol 0.44
    1,4-dioxane 0.75
    methyl acetate 1.34
    THF 3.28
    2-butanone 2.85
    n-pentanol 0.45
    sec-butanol 0.68
    n-hexane 0.02
    ethylene glycol 2.74
    NMP 57.29
    cyclohexane 0.01
    DMSO 124.83
    n-butyl acetate 0.88
    n-octanol 0.14
    chloroform 0.38
    n-propyl acetate 0.69
    acetic acid 9.26
    dichloromethane 0.5
    cyclohexanone 2.26
    propylene glycol 3.33
    isopropyl acetate 0.61
    DMAc 126.42
    2-ethoxyethanol 7.15
    isopentanol 0.64
    n-heptane 0.01
    ethyl formate 1.52
    1,2-dichloroethane 0.4
    n-hexanol 0.35
    2-methoxyethanol 13.43
    isobutyl acetate 0.36
    tetrachloromethane 0.09
    n-pentyl acetate 0.43
    transcutol 18.77
    n-heptanol 0.25
    ethylbenzene 0.09
    MIBK 0.93
    2-propoxyethanol 5.52
    tert-butanol 1.02
    MTBE 0.49
    2-butoxyethanol 2.42
    propionic acid 2.89
    o-xylene 0.16
    formic acid 20.36
    diethyl ether 0.22
    m-xylene 0.1
    p-xylene 0.17
    chlorobenzene 0.14
    dimethyl carbonate 2.23
    n-octane 0.01
    formamide 32.09
    cyclopentanone 5.84
    2-pentanone 1.12
    anisole 0.81
    cyclopentyl methyl ether 0.44
    gamma-butyrolactone 8.7
    1-methoxy-2-propanol 7.47
    pyridine 1.43
    3-pentanone 1.03
    furfural 13.77
    n-dodecane 0.0
    diethylene glycol 10.02
    diisopropyl ether 0.1
    tert-amyl alcohol 1.14
    acetylacetone 3.05
    n-hexadecane 0.01
    acetophenone 2.0
    methyl propionate 1.49
    isopentyl acetate 1.23
    trichloroethylene 1.25
    n-nonanol 0.17
    cyclohexanol 0.29
    benzyl alcohol 1.2
    2-ethylhexanol 0.26
    isooctanol 0.24
    dipropyl ether 0.32
    1,2-dichlorobenzene 0.32
    ethyl lactate 2.58
    propylene carbonate 3.82
    n-methylformamide 13.57
    2-pentanol 0.28
    n-pentane 0.01
    1-propoxy-2-propanol 3.33
    1-methoxy-2-propyl acetate 3.21
    2-(2-methoxypropoxy) propanol 6.25
    mesitylene 0.1
    ε-caprolactone 2.68
    p-cymene 0.16
    epichlorohydrin 4.63
    1,1,1-trichloroethane 0.26
    2-aminoethanol 4.05
    morpholine-4-carbaldehyde 26.67
    sulfolane 31.72
    2,2,4-trimethylpentane 0.02
    2-methyltetrahydrofuran 0.99
    n-hexyl acetate 0.53
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 5.34
    sec-butyl acetate 0.5
    tert-butyl acetate 1.08
    decalin 0.01
    glycerin 12.45
    diglyme 12.25
    acrylic acid 4.87
    isopropyl myristate 0.27
    n-butyric acid 2.17
    acetyl acetate 0.87
    di(2-ethylhexyl) phthalate 1.12
    ethyl propionate 0.83
    nitromethane 19.42
    1,2-diethoxyethane 1.18
    benzonitrile 0.76
    trioctyl phosphate 0.49
    1-bromopropane 0.12
    gamma-valerolactone 13.8
    n-decanol 0.13
    triethyl phosphate 1.54
    4-methyl-2-pentanol 0.28
    propionitrile 0.49
    vinylene carbonate 3.47
    1,1,2-trichlorotrifluoroethane 13.86
    DMS 1.9
    cumene 0.11
    2-octanol 0.13
    2-hexanone 1.0
    octyl acetate 0.37
    limonene 0.19
    1,2-dimethoxyethane 9.43
    ethyl orthosilicate 1.21
    tributyl phosphate 0.77
    diacetone alcohol 4.1
    N,N-dimethylaniline 1.05
    acrylonitrile 1.36
    aniline 0.47
    1,3-propanediol 3.91
    bromobenzene 0.11
    dibromomethane 0.22
    1,1,2,2-tetrachloroethane 1.12
    2-methyl-cyclohexyl acetate 1.32
    tetrabutyl urea 1.44
    diisobutyl methanol 0.24
    2-phenylethanol 1.13
    styrene 0.11
    dioctyl adipate 1.01
    dimethyl sulfate 12.93
    ethyl butyrate 1.12
    methyl lactate 6.16
    butyl lactate 1.61
    diethyl carbonate 1.12
    propanediol butyl ether 3.1
    triethyl orthoformate 1.27
    p-tert-butyltoluene 0.15
    methyl 4-tert-butylbenzoate 3.15
    morpholine 1.83
    tert-butylamine 0.28
    n-dodecanol 0.09
    dimethoxymethane 6.11
    ethylene carbonate 1.76
    cyrene 9.66
    2-ethoxyethyl acetate 1.53
    2-ethylhexyl acetate 0.76
    1,2,4-trichlorobenzene 0.6
    4-methylpyridine 1.31
    dibutyl ether 0.18
    2,6-dimethyl-4-heptanol 0.24
    DEF 5.01
    dimethyl isosorbide 10.48
    tetrachloroethylene 0.69
    eugenol 3.76
    triacetin 2.64
    span 80 2.71
    1,4-butanediol 1.62
    1,1-dichloroethane 0.18
    2-methyl-1-pentanol 0.64
    methyl formate 7.2
    2-methyl-1-butanol 0.64
    n-decane 0.01
    butyronitrile 0.42
    3,7-dimethyl-1-octanol 0.24
    1-chlorooctane 0.04
    1-chlorotetradecane 0.02
    n-nonane 0.01
    undecane 0.01
    tert-butylcyclohexane 0.01
    cyclooctane 0.0
    cyclopentanol 0.56
    tetrahydropyran 0.23
    tert-amyl methyl ether 0.63
    2,5,8-trioxanonane 10.83
    1-hexene 0.08
    2-isopropoxyethanol 3.24
    2,2,2-trifluoroethanol 5.63
    methyl butyrate 1.44

    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