1,2-Propanediol, 3-((4-amino-2-chloro-5-nitrophenyl)amino)-

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  • Identifiers

    CAS number
    95576-89-9

    Molecular formula
    C9H12ClN3O4

    SMILES
    C1=C(C(=CC(=C1Cl)NCC(CO)O)[N+](=O)[O-])N

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 70.81%
    Savory 25.69%
    Sweet 24.22%
    Milky 19.67%
    Bitter 18.87%
    Fishy 17.8%
    Meaty 17.72%
    Animal 16.86%
    Cooling 16.66%
    Musk 16.2%

     

    Flavor
    Odorless 64.24%
    Bitter 59.9%
    Mild 33.21%
    Bland 29.52%
    Sweet-like 25.13%
    Very mild 23.59%
    Yeast 20.09%
    Nitrile 19.45%
    Orange flower 19.09%
    Bread crust 18.66%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.5

    pKa est.
    7.64 (neutral)

    Molecular weight
    261.66 g/mol

    Flash point

    • 239.01 ˚C est.

  • Synonyms

    • 1,2-Propanediol, 3-((4-amino-2-chloro-5-nitrophenyl)amino)-
    • 1,2-Propanediol, 3-[(4-amino-2-chloro-5-nitrophenyl)amino]-
    • RefChem:412156
    • 1,2-Propanediol, 3-(4-amino-2-chloro-5-nitrophenyl)amino-
    • 680-610-7
    • HC RED NO. 10
    • HC RED 10
    • 95576-89-9
    • UNII-79H8LU1I14
    • HC Red No. 10 [INCI]
    • 79H8LU1I14
    • 1-amino-5-chloro-4-(2,3-dihydroxypropylamino)-2-nitrobenzene
    • SCHEMBL111665
    • SCHEMBL30100539
    • DTXSID10879800
    • YFKNIPGAJBJZQT-UHFFFAOYSA-N
    • 3-(4-amino-2-chloro-5-nitroanilino)propane-1,2-diol
    • Q27266761
    • 95576-89-9

  • Applications

    1,2-Propanediol, 3-((4-amino-2-chloro-5-nitrophenyl)amino)- is primarily used as an intermediate in the synthesis of pharmaceuticals and agrochemicals, providing a functionalized diol linkage for downstream transformations. It also serves as a building block in the production of specialty dyes and pigments through its arylamino group. In polymer and coatings applications, it can act as a functionalized diol component or crosslinking precursor for polyurethane and related resin systems, enabling network formation. Depending on formulation needs, it may be evaluated for use in specialty coatings or inks as a reactive intermediate, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3.65
    methanol 9.42
    isopropanol 2.33
    water 2.82
    ethyl acetate 2.22
    n-propanol 2.44
    acetone 8.73
    n-butanol 1.77
    acetonitrile 2.43
    DMF 116.25
    toluene 0.3
    isobutanol 1.44
    1,4-dioxane 3.0
    methyl acetate 2.82
    THF 20.06
    2-butanone 5.16
    n-pentanol 1.97
    sec-butanol 1.72
    n-hexane 0.03
    ethylene glycol 18.36
    NMP 132.75
    cyclohexane 0.07
    DMSO 146.67
    n-butyl acetate 2.19
    n-octanol 0.96
    chloroform 0.13
    n-propyl acetate 2.47
    acetic acid 33.72
    dichloromethane 0.19
    cyclohexanone 9.16
    propylene glycol 19.35
    isopropyl acetate 1.6
    DMAc 164.71
    2-ethoxyethanol 34.3
    isopentanol 2.08
    n-heptane 0.14
    ethyl formate 3.74
    1,2-dichloroethane 0.31
    n-hexanol 2.27
    2-methoxyethanol 62.68
    isobutyl acetate 1.22
    tetrachloromethane 0.07
    n-pentyl acetate 1.7
    transcutol 35.19
    n-heptanol 2.07
    ethylbenzene 0.26
    MIBK 2.95
    2-propoxyethanol 20.7
    tert-butanol 5.05
    MTBE 0.96
    2-butoxyethanol 12.35
    propionic acid 6.56
    o-xylene 0.5
    formic acid 86.34
    diethyl ether 0.49
    m-xylene 0.44
    p-xylene 0.47
    chlorobenzene 0.18
    dimethyl carbonate 5.37
    n-octane 0.07
    formamide 104.89
    cyclopentanone 22.74
    2-pentanone 4.07
    anisole 1.54
    cyclopentyl methyl ether 3.06
    gamma-butyrolactone 31.85
    1-methoxy-2-propanol 36.83
    pyridine 2.63
    3-pentanone 2.7
    furfural 24.92
    n-dodecane 0.04
    diethylene glycol 40.42
    diisopropyl ether 0.26
    tert-amyl alcohol 3.53
    acetylacetone 11.71
    n-hexadecane 0.05
    acetophenone 4.63
    methyl propionate 4.29
    isopentyl acetate 2.31
    trichloroethylene 0.69
    n-nonanol 1.16
    cyclohexanol 2.01
    benzyl alcohol 3.83
    2-ethylhexanol 1.39
    isooctanol 1.75
    dipropyl ether 1.42
    1,2-dichlorobenzene 0.28
    ethyl lactate 10.57
    propylene carbonate 10.77
    n-methylformamide 35.14
    2-pentanol 1.06
    n-pentane 0.03
    1-propoxy-2-propanol 12.71
    1-methoxy-2-propyl acetate 8.21
    2-(2-methoxypropoxy) propanol 17.01
    mesitylene 0.35
    ε-caprolactone 9.35
    p-cymene 0.6
    epichlorohydrin 7.83
    1,1,1-trichloroethane 0.2
    2-aminoethanol 21.12
    morpholine-4-carbaldehyde 67.13
    sulfolane 74.1
    2,2,4-trimethylpentane 0.04
    2-methyltetrahydrofuran 4.48
    n-hexyl acetate 1.87
    isooctane 0.03
    2-(2-butoxyethoxy)ethanol 18.46
    sec-butyl acetate 1.4
    tert-butyl acetate 3.14
    decalin 0.05
    glycerin 58.9
    diglyme 31.57
    acrylic acid 11.42
    isopropyl myristate 1.06
    n-butyric acid 6.65
    acetyl acetate 2.3
    di(2-ethylhexyl) phthalate 2.99
    ethyl propionate 2.36
    nitromethane 53.46
    1,2-diethoxyethane 2.95
    benzonitrile 1.56
    trioctyl phosphate 2.2
    1-bromopropane 0.13
    gamma-valerolactone 46.27
    n-decanol 1.02
    triethyl phosphate 2.9
    4-methyl-2-pentanol 1.06
    propionitrile 1.32
    vinylene carbonate 7.05
    1,1,2-trichlorotrifluoroethane 31.04
    DMS 3.07
    cumene 0.28
    2-octanol 0.98
    2-hexanone 3.19
    octyl acetate 1.69
    limonene 0.82
    1,2-dimethoxyethane 22.24
    ethyl orthosilicate 2.37
    tributyl phosphate 2.08
    diacetone alcohol 18.53
    N,N-dimethylaniline 2.16
    acrylonitrile 3.25
    aniline 1.19
    1,3-propanediol 23.48
    bromobenzene 0.12
    dibromomethane 0.12
    1,1,2,2-tetrachloroethane 0.78
    2-methyl-cyclohexyl acetate 3.59
    tetrabutyl urea 5.16
    diisobutyl methanol 1.11
    2-phenylethanol 3.6
    styrene 0.24
    dioctyl adipate 3.19
    dimethyl sulfate 21.17
    ethyl butyrate 3.0
    methyl lactate 21.8
    butyl lactate 6.17
    diethyl carbonate 2.3
    propanediol butyl ether 14.89
    triethyl orthoformate 2.94
    p-tert-butyltoluene 0.62
    methyl 4-tert-butylbenzoate 8.41
    morpholine 8.3
    tert-butylamine 1.01
    n-dodecanol 0.8
    dimethoxymethane 20.05
    ethylene carbonate 4.59
    cyrene 38.08
    2-ethoxyethyl acetate 3.88
    2-ethylhexyl acetate 1.49
    1,2,4-trichlorobenzene 0.52
    4-methylpyridine 2.35
    dibutyl ether 0.66
    2,6-dimethyl-4-heptanol 1.11
    DEF 11.73
    dimethyl isosorbide 28.07
    tetrachloroethylene 0.6
    eugenol 11.32
    triacetin 6.87
    span 80 11.64
    1,4-butanediol 11.36
    1,1-dichloroethane 0.14
    2-methyl-1-pentanol 1.93
    methyl formate 21.23
    2-methyl-1-butanol 1.76
    n-decane 0.07
    butyronitrile 1.13
    3,7-dimethyl-1-octanol 1.18
    1-chlorooctane 0.19
    1-chlorotetradecane 0.12
    n-nonane 0.06
    undecane 0.05
    tert-butylcyclohexane 0.04
    cyclooctane 0.04
    cyclopentanol 4.41
    tetrahydropyran 1.37
    tert-amyl methyl ether 1.25
    2,5,8-trioxanonane 28.06
    1-hexene 0.15
    2-isopropoxyethanol 13.84
    2,2,2-trifluoroethanol 17.97
    methyl butyrate 4.25

    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