2,5-Dinitrotoluene

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  • Identifiers

    CAS number
    619-15-8

    Molecular formula
    C7H6N2O4

    SMILES
    CC1=C(C=CC(=C1)[N+](=O)[O-])[N+](=O)[O-]

    Safety labels

    Acute Toxic
    Acute Toxic

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Sweet 56.63%
    Powdery 38.57%
    Odorless 37.4%
    Fatty 36.57%
    Floral 32.87%
    Musk 30.9%
    Creamy 30.25%
    Vanilla 28.89%
    Dry 27.38%
    Honey 26.35%

     

    Flavor
    Bitter 59.74%
    Odorless 50.61%
    Mild 28.45%
    Very mild 24.19%
    Nutty 22.25%
    Bland 21.83%
    Nitrile 21.44%
    Bread crust 20.9%
    Sweet-like 20.55%
    Urine 20.34%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    6.56 (neutral)

    Molecular weight
    182.13 g/mol

    Melting point expt.

    • 52.5 °C

    Boiling point

    • 284 °C

    Flash point

    • 188.04 ˚C est.
    • 404 °F (207 °C) (closed cup) /Dinitrotoluenes/
    • 207 °C c.c.

    Solubility expt.

    • Soluble in ethanol; very soluble in carbon disulfide
    • In water, 219 mg/L at 25 °C
    • Solubility in water, g/100ml at 20 °C: 0.03 (very poor)

  • Synonyms

    • 2,5-DINITROTOLUENE
    • 2-Methyl-1,4-dinitrobenzene
    • 619-15-8
    • Benzene, 2-methyl-1,4-dinitro-
    • Toluene, 2,5-dinitro-
    • HSDB 5504
    • 2,5-DNT
    • CCRIS 2838
    • EINECS 210-581-4
    • UNII-870KS1U6JB
    • NSC 159120
    • BRN 2213718
    • NSC-159120
    • 2,5-DI-NITROTOLUENE
    • 2,5-DINITROTOLUIDINE
    • 870KS1U6JB
    • DINITROTOLUENE, 2,5-
    • DTXSID8027248
    • 2,5-DINITROTOLUENE [HSDB]
    • 4-05-00-00866 (Beilstein Handbook Reference)
    • 1-METHYL-2,5-DINITROBENZENE
    • 3-METHYL-1,4-DINITROBENZENE
    • Benzene,2-methyl-1,4-dinitro-
    • 2,5-dinitrotoluol
    • WLN: WNR C1 DNW
    • DTXCID507248
    • SCHEMBL2948384
    • 2-Methyl-1,4-dinitrobenzene #
    • NSC159120
    • AKOS006272629
    • AS-77520
    • DS-006782
    • CS-0438488
    • NS00002668
    • D93538
    • EN300-221107
    • Q22083659

  • Applications

    2,5-Dinitrotoluene is primarily used as an industrial intermediate in the synthesis of nitroaromatic compounds, most notably as a precursor in the production of energetic materials such as TNT. It also serves as a feedstock for the manufacture of diamine derivatives (e.g., diaminotoluene) that are used in polyurethane and other polymer chemistries. In addition, it may be employed in dye and pigment chemistry as a starting material for amine derivatives used in azo dye routes. It is sometimes evaluated for specialty chemical syntheses and other nitroaromatic transformations in industrial manufacturing, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5.1
    methanol 9.57
    isopropanol 3.16
    water 0.18
    ethyl acetate 33.7
    n-propanol 4.17
    acetone 48.71
    n-butanol 4.01
    acetonitrile 25.56
    DMF 130.4
    toluene 18.01
    isobutanol 2.81
    1,4-dioxane 69.43
    methyl acetate 48.84
    THF 53.36
    2-butanone 37.63
    n-pentanol 5.8
    sec-butanol 4.37
    n-hexane 1.19
    ethylene glycol 5.85
    NMP 123.81
    cyclohexane 1.29
    DMSO 86.37
    n-butyl acetate 32.95
    n-octanol 10.25
    chloroform 33.06
    n-propyl acetate 26.51
    acetic acid 14.97
    dichloromethane 42.09
    cyclohexanone 46.99
    propylene glycol 3.05
    isopropyl acetate 22.11
    DMAc 122.91
    2-ethoxyethanol 28.28
    isopentanol 4.55
    n-heptane 1.75
    ethyl formate 24.0
    1,2-dichloroethane 42.7
    n-hexanol 9.82
    2-methoxyethanol 34.37
    isobutyl acetate 12.95
    tetrachloromethane 6.36
    n-pentyl acetate 24.84
    transcutol 136.2
    n-heptanol 8.01
    ethylbenzene 11.85
    MIBK 20.95
    2-propoxyethanol 37.6
    tert-butanol 7.03
    MTBE 12.44
    2-butoxyethanol 23.26
    propionic acid 10.8
    o-xylene 17.04
    formic acid 14.01
    diethyl ether 14.24
    m-xylene 13.88
    p-xylene 15.64
    chlorobenzene 30.01
    dimethyl carbonate 46.36
    n-octane 1.27
    formamide 32.26
    cyclopentanone 57.04
    2-pentanone 26.77
    anisole 45.32
    cyclopentyl methyl ether 20.08
    gamma-butyrolactone 78.0
    1-methoxy-2-propanol 20.79
    pyridine 52.17
    3-pentanone 30.51
    furfural 127.72
    n-dodecane 1.56
    diethylene glycol 46.66
    diisopropyl ether 6.52
    tert-amyl alcohol 7.78
    acetylacetone 91.32
    n-hexadecane 1.86
    acetophenone 56.87
    methyl propionate 35.35
    isopentyl acetate 27.9
    trichloroethylene 95.52
    n-nonanol 11.25
    cyclohexanol 5.71
    benzyl alcohol 22.75
    2-ethylhexanol 9.42
    isooctanol 6.9
    dipropyl ether 13.31
    1,2-dichlorobenzene 39.71
    ethyl lactate 23.12
    propylene carbonate 44.67
    n-methylformamide 39.42
    2-pentanol 3.63
    n-pentane 0.76
    1-propoxy-2-propanol 24.71
    1-methoxy-2-propyl acetate 52.28
    2-(2-methoxypropoxy) propanol 55.92
    mesitylene 11.31
    ε-caprolactone 44.56
    p-cymene 12.06
    epichlorohydrin 88.55
    1,1,1-trichloroethane 33.74
    2-aminoethanol 5.65
    morpholine-4-carbaldehyde 150.97
    sulfolane 115.21
    2,2,4-trimethylpentane 1.03
    2-methyltetrahydrofuran 26.87
    n-hexyl acetate 35.2
    isooctane 0.8
    2-(2-butoxyethoxy)ethanol 57.0
    sec-butyl acetate 18.57
    tert-butyl acetate 34.52
    decalin 2.22
    glycerin 10.88
    diglyme 107.14
    acrylic acid 17.54
    isopropyl myristate 21.3
    n-butyric acid 10.99
    acetyl acetate 40.19
    di(2-ethylhexyl) phthalate 22.41
    ethyl propionate 30.63
    nitromethane 117.72
    1,2-diethoxyethane 47.14
    benzonitrile 38.14
    trioctyl phosphate 15.17
    1-bromopropane 12.22
    gamma-valerolactone 115.34
    n-decanol 9.73
    triethyl phosphate 27.83
    4-methyl-2-pentanol 3.77
    propionitrile 14.19
    vinylene carbonate 52.57
    1,1,2-trichlorotrifluoroethane 75.31
    DMS 68.67
    cumene 9.02
    2-octanol 6.77
    2-hexanone 27.73
    octyl acetate 25.6
    limonene 14.91
    1,2-dimethoxyethane 81.1
    ethyl orthosilicate 21.65
    tributyl phosphate 21.19
    diacetone alcohol 37.39
    N,N-dimethylaniline 30.31
    acrylonitrile 31.6
    aniline 16.97
    1,3-propanediol 7.85
    bromobenzene 31.07
    dibromomethane 20.05
    1,1,2,2-tetrachloroethane 60.36
    2-methyl-cyclohexyl acetate 30.51
    tetrabutyl urea 33.54
    diisobutyl methanol 8.37
    2-phenylethanol 31.69
    styrene 16.64
    dioctyl adipate 34.5
    dimethyl sulfate 100.91
    ethyl butyrate 28.76
    methyl lactate 28.71
    butyl lactate 22.44
    diethyl carbonate 27.14
    propanediol butyl ether 25.12
    triethyl orthoformate 25.1
    p-tert-butyltoluene 12.77
    methyl 4-tert-butylbenzoate 50.91
    morpholine 40.34
    tert-butylamine 3.9
    n-dodecanol 8.36
    dimethoxymethane 63.29
    ethylene carbonate 35.04
    cyrene 55.3
    2-ethoxyethyl acetate 49.51
    2-ethylhexyl acetate 25.27
    1,2,4-trichlorobenzene 47.76
    4-methylpyridine 48.43
    dibutyl ether 17.18
    2,6-dimethyl-4-heptanol 8.37
    DEF 51.26
    dimethyl isosorbide 98.04
    tetrachloroethylene 42.22
    eugenol 53.16
    triacetin 59.1
    span 80 34.35
    1,4-butanediol 6.17
    1,1-dichloroethane 20.96
    2-methyl-1-pentanol 7.01
    methyl formate 55.91
    2-methyl-1-butanol 4.03
    n-decane 2.0
    butyronitrile 11.28
    3,7-dimethyl-1-octanol 12.04
    1-chlorooctane 9.18
    1-chlorotetradecane 5.79
    n-nonane 1.66
    undecane 1.75
    tert-butylcyclohexane 1.99
    cyclooctane 0.93
    cyclopentanol 6.08
    tetrahydropyran 18.27
    tert-amyl methyl ether 15.29
    2,5,8-trioxanonane 96.13
    1-hexene 4.2
    2-isopropoxyethanol 21.57
    2,2,2-trifluoroethanol 19.38
    methyl butyrate 34.07

    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