p-nitrophenol sodium salt

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  • Identifiers

    CAS number
    824-78-2

    Molecular formula
    C6H4NNaO3

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

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Sweet 52.44%
    Odorless 44.38%
    Phenolic 42.82%
    Vanilla 36.02%
    Powdery 33.85%
    Balsamic 32.63%
    Bitter 29.82%
    Creamy 27.03%
    Floral 26.68%
    Honey 26.45%

     

    Flavor
    Bitter 52.5%
    Odorless 45.48%
    Mild 35.21%
    Phenolic 28.81%
    Nutty 26.04%
    Faint 23.6%
    Urine 22.48%
    Nitrile 21.97%
    Orange flower 21.29%
    Bread crust 20.75%

     

    Odor impact est.
    Medium

    Odor threshold

    • Detection in air: 2.3 mg/cu m /4-Nitrophenol/
    • Detection in water: 2.5 mg/l /4-Nitrophenol/

  • Properties

    pKa est.
    7.43 (neutral)

    Molecular weight
    161.09 g/mol

    Flash point

    • 126.98 ˚C est.

    Solubility expt.

    • SOLUBILITY: 5.97 G/100 CC WATER @ 25 °C /TETRAHYDRATE/
    • Sol in water

  • Synonyms

    • Sodium 4-nitrophenolate
    • 824-78-2
    • Sodium 4-nitrophenoxide
    • 4-Nitrophenol sodium salt
    • Sodium p-nitrophenoxide
    • Sodium p-nitrophenolate
    • Sodium p-nitrophenol
    • Sodium nitrophenate
    • P-NITROPHENOL SODIUM SALT
    • Sodium p-nitrophenate
    • Phenol, p-nitro-, sodium salt
    • para-Nitro sodium phenolate
    • Phenol, 4-nitro-, sodium salt
    • HSDB 2592
    • 4RPH5V4ONG
    • EINECS 212-536-4
    • EPA Pesticide Chemical Code 129077
    • DTXSID3027320
    • AI3-09021
    • Phenol, 4-nitro-, sodium salt (1:1)
    • DTXCID907320
    • SODIUM, (P-NITROPHENOXY)-
    • P-NITROPHENOL SODIUM SALT [HSDB]
    • Sodium pnitrophenol
    • Sodium pnitrophenate
    • Sodium pnitrophenolate
    • Sodium pnitrophenoxide
    • Sodium 4nitrophenolate
    • Sodium 4nitrophenoxide
    • 4Nitrophenol sodium salt
    • RefChem:858145
    • paraNitro sodium phenolate
    • Phenol, pnitro, sodium salt
    • Phenol, 4nitro, sodium salt
    • 212-536-4
    • sodium;4-nitrophenolate
    • 4-NITROPHENOLSODIUMSALTDIHYDRATE
    • PNSP
    • 4-nitrophenol sodium
    • MFCD00044673
    • UNII-4RPH5V4ONG
    • p-nitrophenoxide sodium salt
    • SCHEMBL237649
    • CHEMBL3183771
    • MSK9022
    • MSK9022-100MW
    • MSK9022-1000MW
    • Tox21_300477
    • AKOS006228551
    • NCGC00254344-01
    • CAS-824-78-2
    • N0223
    • NS00078716
    • Sodium 4-nitrophenolate Contains 20-30% water
    • 4-Nitrophenol sodium 100 microg/mL in Acetonitrile
    • 4-NITROPHENOL SODIUM SALT DIHYDRATE PEST ANAL
    • Q27260406
    • F1905-7102
    • Sodium 4-nitrophenoxide Solution in Methanol/Water, 1000ug/mL
    • Sodium 4-nitrophenoxide Solution in Methanol/Water, 100ug/mL
    • 824-78-2

  • Applications

    p-Nitrophenol sodium salt is primarily used as an intermediate in organic synthesis, serving as a building block for nitroaromatic compounds that are precursors to dyes and pigments; it is commonly employed in the production of azo dyes and colorant intermediates used in coatings, inks, and plastics. In analytical and laboratory contexts, the sodium salt is used as a water-soluble reagent and reference standard for UV-Vis spectrophotometry, and it can function as a starting material for aqueous-phase syntheses of other nitroaromatic compounds. It is also encountered in research and development as a precursor for chromogenic systems and sensor/indicator chemistries.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 145.44
    methanol 287.61
    isopropanol 69.8
    water 2.79
    ethyl acetate 705.07
    n-propanol 109.3
    acetone 1290.04
    n-butanol 79.5
    acetonitrile 1338.42
    DMF 2008.95
    toluene 260.85
    isobutanol 62.5
    1,4-dioxane 823.41
    methyl acetate 1189.18
    THF 693.86
    2-butanone 936.75
    n-pentanol 119.94
    sec-butanol 97.41
    n-hexane 3.08
    ethylene glycol 121.67
    NMP 1630.85
    cyclohexane 2.33
    DMSO 1527.58
    n-butyl acetate 352.54
    n-octanol 102.05
    chloroform 321.48
    n-propyl acetate 636.62
    acetic acid 628.09
    dichloromethane 706.59
    cyclohexanone 597.58
    propylene glycol 75.15
    isopropyl acetate 293.12
    DMAc 1311.87
    2-ethoxyethanol 659.03
    isopentanol 78.84
    n-heptane 5.92
    ethyl formate 519.14
    1,2-dichloroethane 614.01
    n-hexanol 89.78
    2-methoxyethanol 617.72
    isobutyl acetate 205.23
    tetrachloromethane 19.19
    n-pentyl acetate 257.95
    transcutol 2900.07
    n-heptanol 65.39
    ethylbenzene 148.2
    MIBK 247.8
    2-propoxyethanol 365.38
    tert-butanol 103.34
    MTBE 184.13
    2-butoxyethanol 231.33
    propionic acid 375.55
    o-xylene 184.52
    formic acid 501.56
    diethyl ether 244.58
    m-xylene 146.25
    p-xylene 190.8
    chlorobenzene 364.09
    dimethyl carbonate 477.88
    n-octane 3.89
    formamide 1477.12
    cyclopentanone 923.23
    2-pentanone 524.46
    anisole 767.5
    cyclopentyl methyl ether 280.62
    gamma-butyrolactone 1530.93
    1-methoxy-2-propanol 362.5
    pyridine 1189.97
    3-pentanone 459.87
    furfural 1714.47
    n-dodecane 6.16
    diethylene glycol 403.14
    diisopropyl ether 55.91
    tert-amyl alcohol 130.66
    acetylacetone 883.61
    n-hexadecane 7.4
    acetophenone 868.84
    methyl propionate 681.95
    isopentyl acetate 232.62
    trichloroethylene 1360.91
    n-nonanol 99.63
    cyclohexanol 82.19
    benzyl alcohol 430.15
    2-ethylhexanol 71.87
    isooctanol 52.46
    dipropyl ether 112.26
    1,2-dichlorobenzene 342.96
    ethyl lactate 255.3
    propylene carbonate 582.63
    n-methylformamide 1294.54
    2-pentanol 69.03
    n-pentane 2.64
    1-propoxy-2-propanol 225.34
    1-methoxy-2-propyl acetate 389.42
    2-(2-methoxypropoxy) propanol 425.63
    mesitylene 73.49
    ε-caprolactone 694.64
    p-cymene 68.86
    epichlorohydrin 1550.08
    1,1,1-trichloroethane 278.47
    2-aminoethanol 137.58
    morpholine-4-carbaldehyde 2003.56
    sulfolane 1245.11
    2,2,4-trimethylpentane 3.95
    2-methyltetrahydrofuran 498.61
    n-hexyl acetate 381.87
    isooctane 3.14
    2-(2-butoxyethoxy)ethanol 624.17
    sec-butyl acetate 304.46
    tert-butyl acetate 289.0
    decalin 6.47
    glycerin 162.06
    diglyme 1255.2
    acrylic acid 564.47
    isopropyl myristate 137.48
    n-butyric acid 243.53
    acetyl acetate 482.11
    di(2-ethylhexyl) phthalate 110.39
    ethyl propionate 470.98
    nitromethane 3562.54
    1,2-diethoxyethane 668.43
    benzonitrile 730.26
    trioctyl phosphate 75.17
    1-bromopropane 150.9
    gamma-valerolactone 1454.95
    n-decanol 79.07
    triethyl phosphate 132.51
    4-methyl-2-pentanol 48.05
    propionitrile 452.64
    vinylene carbonate 671.65
    1,1,2-trichlorotrifluoroethane 685.03
    DMS 602.44
    cumene 80.29
    2-octanol 56.23
    2-hexanone 526.49
    octyl acetate 190.94
    limonene 80.33
    1,2-dimethoxyethane 986.93
    ethyl orthosilicate 101.14
    tributyl phosphate 124.77
    diacetone alcohol 336.65
    N,N-dimethylaniline 336.17
    acrylonitrile 1118.93
    aniline 309.46
    1,3-propanediol 157.97
    bromobenzene 287.69
    dibromomethane 257.3
    1,1,2,2-tetrachloroethane 617.53
    2-methyl-cyclohexyl acetate 193.53
    tetrabutyl urea 174.77
    diisobutyl methanol 45.15
    2-phenylethanol 270.91
    styrene 279.3
    dioctyl adipate 243.56
    dimethyl sulfate 753.23
    ethyl butyrate 285.76
    methyl lactate 322.45
    butyl lactate 186.71
    diethyl carbonate 215.53
    propanediol butyl ether 303.26
    triethyl orthoformate 160.74
    p-tert-butyltoluene 56.45
    methyl 4-tert-butylbenzoate 290.12
    morpholine 756.77
    tert-butylamine 37.23
    n-dodecanol 59.2
    dimethoxymethane 758.92
    ethylene carbonate 429.92
    cyrene 415.53
    2-ethoxyethyl acetate 632.3
    2-ethylhexyl acetate 186.85
    1,2,4-trichlorobenzene 463.37
    4-methylpyridine 1040.71
    dibutyl ether 168.46
    2,6-dimethyl-4-heptanol 45.15
    DEF 741.29
    dimethyl isosorbide 631.82
    tetrachloroethylene 387.18
    eugenol 362.61
    triacetin 616.0
    span 80 251.51
    1,4-butanediol 125.66
    1,1-dichloroethane 373.92
    2-methyl-1-pentanol 107.99
    methyl formate 1323.77
    2-methyl-1-butanol 77.38
    n-decane 9.18
    butyronitrile 271.43
    3,7-dimethyl-1-octanol 100.49
    1-chlorooctane 63.38
    1-chlorotetradecane 27.62
    n-nonane 7.3
    undecane 7.68
    tert-butylcyclohexane 6.04
    cyclooctane 1.71
    cyclopentanol 108.63
    tetrahydropyran 312.84
    tert-amyl methyl ether 173.29
    2,5,8-trioxanonane 853.01
    1-hexene 36.06
    2-isopropoxyethanol 389.79
    2,2,2-trifluoroethanol 370.19
    methyl butyrate 568.95

    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