2,6-Dinitrophenol

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  • Identifiers

    CAS number
    573-56-8

    Molecular formula
    C6H4N2O5

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

    Safety labels

    Acute Toxic
    Acute Toxic

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Sweet 53.17%
    Odorless 49.61%
    Phenolic 27.91%
    Powdery 27.43%
    Bitter 26.43%
    Balsamic 25.79%
    Burnt 25.46%
    Vanilla 25.09%
    Creamy 23.81%
    Caramellic 23.17%

     

    Flavor
    Bitter 61.18%
    Odorless 53.57%
    Mild 30.62%
    Very mild 24.18%
    Bland 22.82%
    Nutty 21.37%
    Nitrile 21.28%
    Sweet-like 20.49%
    Urine 20.45%
    Bread crust 20.4%

     

    Odor impact est.
    Low

    Odor threshold

    • Detection: 10 mg/L

  • Properties

    XLogP3-AA
    1.4

    pKa est.
    7.12 (neutral)

    Molecular weight
    184.11 g/mol

    Melting point expt.

    • 147.2 °F (USCG, 1999)
    • 63.5 °C

    Flash point

    • 142.2 ˚C est.

    Solubility expt.

    • Slightly soluble in cold water or cold alcohol; freely soluble in chloroform, ether, boiling alcohol, fixed alkali hydroxide solution
    • Very soluble in ethanol, acetone, ether; soluble in benzene, chloroform, pyrene; slightly soluble in carbon tetrachloride, carbon disulfide
    • Solubility in water: 0.42 g/L /From table/
    • In water, 5164 mg/L at 50 °C

  • Synonyms

    • 2,6-DINITROPHENOL
    • 573-56-8
    • o-Dinitrophenol
    • Phenol, 2,6-dinitro-
    • beta-Dinitrophenol
    • 2,6-DNP
    • Dinitro-2,6-phenol
    • 2,6-Dinitrofenol
    • .beta.-Dinitrophenol
    • Phenol, beta-dinitro-
    • Phenol, .beta.-dinitro-
    • 2,6-Dinitrofenol [Czech]
    • CCRIS 3104
    • CHEBI:39357
    • HSDB 6306
    • UNII-F4QM4I92KC
    • NSC 6215
    • EINECS 209-357-9
    • F4QM4I92KC
    • BRN 1913410
    • NSC-6215
    • DTXSID5022063
    • 2,6-DINITROPHENOL [MI]
    • oDinitrophenol
    • 2,6Dinitrofenol
    • o,o-Dinitrophenol
    • 2,6-dinitro phenol
    • Phenol, 2,6dinitro
    • O-O-DINITROPHENOL
    • WLN: WNR BQ CNW
    • Epitope ID:161741
    • 2,6-Dinitrophenol, 95%
    • 2,6-Dinitrofenol (Spanish)
    • 1-Hydroxy-2,6-dinitrobenzene
    • 2,6DNP
    • DTXCID202063
    • SCHEMBL1077970
    • CHEMBL3278560
    • NSC6215
    • STL355968
    • AKOS000274520
    • AS-40741
    • DB-020252
    • NS00033697
    • 2,6-Dinitrophenol (wetted with >15% H2O)
    • EN300-97958
    • 2,6-DINITROPHENOL(CONTAINS 15% WATER)
    • 2,6-Dinitrophenol 10 microg/mL in Acetonitrile
    • Q20856130
    • 209-357-9

  • Applications

    2,6-Dinitrophenol (CAS 573-56-8) is primarily used as an intermediate in the synthesis of nitroaromatic compounds. It serves as a building block for dye and pigment precursors used in coatings and inks, and it is also employed as an intermediate in the manufacture of pharmaceutical and agrochemical (pesticide) products. In organic synthesis, it provides a nitroaromatic framework that can be converted to other derivatives, including diamino compounds for dye chemistry. In addition, it is encountered in research and development as a specialty building block for new chemicals.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 123.45
    methanol 215.5
    isopropanol 63.1
    water 0.86
    ethyl acetate 361.18
    n-propanol 93.74
    acetone 716.57
    n-butanol 64.06
    acetonitrile 585.68
    DMF 803.62
    toluene 48.94
    isobutanol 44.42
    1,4-dioxane 269.95
    methyl acetate 502.88
    THF 934.54
    2-butanone 561.07
    n-pentanol 94.5
    sec-butanol 84.95
    n-hexane 2.12
    ethylene glycol 158.36
    NMP 634.32
    cyclohexane 1.97
    DMSO 1666.21
    n-butyl acetate 138.95
    n-octanol 72.16
    chloroform 42.13
    n-propyl acetate 245.71
    acetic acid 196.48
    dichloromethane 109.89
    cyclohexanone 239.61
    propylene glycol 89.1
    isopropyl acetate 163.27
    DMAc 721.38
    2-ethoxyethanol 467.16
    isopentanol 58.31
    n-heptane 4.75
    ethyl formate 172.05
    1,2-dichloroethane 174.58
    n-hexanol 78.77
    2-methoxyethanol 533.34
    isobutyl acetate 63.74
    tetrachloromethane 4.47
    n-pentyl acetate 116.65
    transcutol 989.71
    n-heptanol 55.44
    ethylbenzene 33.81
    MIBK 147.23
    2-propoxyethanol 296.26
    tert-butanol 99.83
    MTBE 104.93
    2-butoxyethanol 150.34
    propionic acid 166.91
    o-xylene 36.92
    formic acid 201.66
    diethyl ether 185.12
    m-xylene 36.14
    p-xylene 31.27
    chlorobenzene 41.41
    dimethyl carbonate 211.62
    n-octane 3.01
    formamide 586.2
    cyclopentanone 484.77
    2-pentanone 331.82
    anisole 158.23
    cyclopentyl methyl ether 202.08
    gamma-butyrolactone 622.53
    1-methoxy-2-propanol 340.2
    pyridine 285.51
    3-pentanone 273.5
    furfural 388.42
    n-dodecane 4.43
    diethylene glycol 319.52
    diisopropyl ether 41.44
    tert-amyl alcohol 104.81
    acetylacetone 459.08
    n-hexadecane 5.19
    acetophenone 181.71
    methyl propionate 361.52
    isopentyl acetate 85.37
    trichloroethylene 207.87
    n-nonanol 74.26
    cyclohexanol 52.75
    benzyl alcohol 128.64
    2-ethylhexanol 47.71
    isooctanol 38.58
    dipropyl ether 72.69
    1,2-dichlorobenzene 40.15
    ethyl lactate 137.96
    propylene carbonate 180.21
    n-methylformamide 547.67
    2-pentanol 60.39
    n-pentane 2.44
    1-propoxy-2-propanol 175.02
    1-methoxy-2-propyl acetate 183.59
    2-(2-methoxypropoxy) propanol 189.23
    mesitylene 20.32
    ε-caprolactone 231.54
    p-cymene 23.9
    epichlorohydrin 687.6
    1,1,1-trichloroethane 52.75
    2-aminoethanol 135.2
    morpholine-4-carbaldehyde 485.2
    sulfolane 713.67
    2,2,4-trimethylpentane 2.46
    2-methyltetrahydrofuran 348.6
    n-hexyl acetate 163.51
    isooctane 1.85
    2-(2-butoxyethoxy)ethanol 304.21
    sec-butyl acetate 118.74
    tert-butyl acetate 159.45
    decalin 3.06
    glycerin 167.7
    diglyme 425.44
    acrylic acid 191.34
    isopropyl myristate 72.34
    n-butyric acid 122.27
    acetyl acetate 163.24
    di(2-ethylhexyl) phthalate 47.1
    ethyl propionate 227.3
    nitromethane 1139.88
    1,2-diethoxyethane 227.69
    benzonitrile 119.58
    trioctyl phosphate 45.43
    1-bromopropane 63.45
    gamma-valerolactone 457.61
    n-decanol 60.36
    triethyl phosphate 52.99
    4-methyl-2-pentanol 36.28
    propionitrile 233.54
    vinylene carbonate 145.29
    1,1,2-trichlorotrifluoroethane 268.53
    DMS 171.93
    cumene 21.0
    2-octanol 45.68
    2-hexanone 246.69
    octyl acetate 100.51
    limonene 35.08
    1,2-dimethoxyethane 425.87
    ethyl orthosilicate 43.06
    tributyl phosphate 51.88
    diacetone alcohol 225.57
    N,N-dimethylaniline 84.21
    acrylonitrile 413.67
    aniline 80.49
    1,3-propanediol 140.67
    bromobenzene 30.33
    dibromomethane 54.06
    1,1,2,2-tetrachloroethane 124.84
    2-methyl-cyclohexyl acetate 71.57
    tetrabutyl urea 80.92
    diisobutyl methanol 29.43
    2-phenylethanol 113.96
    styrene 44.86
    dioctyl adipate 94.45
    dimethyl sulfate 373.38
    ethyl butyrate 108.77
    methyl lactate 227.02
    butyl lactate 96.99
    diethyl carbonate 64.97
    propanediol butyl ether 176.16
    triethyl orthoformate 63.99
    p-tert-butyltoluene 22.48
    methyl 4-tert-butylbenzoate 111.7
    morpholine 365.89
    tert-butylamine 33.61
    n-dodecanol 44.82
    dimethoxymethane 569.32
    ethylene carbonate 109.64
    cyrene 188.43
    2-ethoxyethyl acetate 219.29
    2-ethylhexyl acetate 65.78
    1,2,4-trichlorobenzene 60.81
    4-methylpyridine 201.06
    dibutyl ether 82.71
    2,6-dimethyl-4-heptanol 29.43
    DEF 322.91
    dimethyl isosorbide 244.34
    tetrachloroethylene 68.0
    eugenol 135.87
    triacetin 168.42
    span 80 124.53
    1,4-butanediol 94.82
    1,1-dichloroethane 81.38
    2-methyl-1-pentanol 73.63
    methyl formate 452.9
    2-methyl-1-butanol 59.93
    n-decane 6.76
    butyronitrile 127.35
    3,7-dimethyl-1-octanol 58.06
    1-chlorooctane 36.75
    1-chlorotetradecane 16.86
    n-nonane 5.42
    undecane 5.57
    tert-butylcyclohexane 2.82
    cyclooctane 1.42
    cyclopentanol 80.59
    tetrahydropyran 175.55
    tert-amyl methyl ether 106.48
    2,5,8-trioxanonane 328.25
    1-hexene 18.57
    2-isopropoxyethanol 243.48
    2,2,2-trifluoroethanol 100.57
    methyl butyrate 234.67

    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