3,4-Dinitrotoluene

Overview IFRA Request a quote

  • Identifiers

    CAS number
    610-39-9

    Molecular formula
    C7H6N2O4

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

    Safety labels

    Acute Toxic
    Acute Toxic

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Sweet 52.78%
    Odorless 40.44%
    Powdery 36.99%
    Fatty 35.83%
    Floral 35.26%
    Musk 31.55%
    Honey 30.49%
    Dry 26.58%
    Creamy 26.17%
    Vanilla 24.26%

     

    Flavor
    Bitter 62.57%
    Odorless 48.79%
    Mild 27.28%
    Very mild 22.39%
    Bland 21.85%
    Nitrile 21.57%
    Bread crust 20.63%
    Sweet-like 20.32%
    Urine 19.99%
    Orange flower 19.95%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.1

    pKa est.
    5.34 (weak acid)

    Molecular weight
    182.13 g/mol

    Melting point expt.

    • 141.8 °F (USCG, 1999)
    • 58.0 °C
    • 58 °C

    Boiling point

    • 336.9 °C /extrapolated/

    Flash point

    • 146.46 ˚C est.
    • 404 °F (est.) (USCG, 1999)
    • 404 °F (Closed cup)
    • 207 °C c.c.

    Solubility expt.

    • Soluble in ethanol and carbon disulfide; slightly soluble in chloroform
    • In water, 179 mg/L at 25 °C
    • Solubility in water: very poor

  • Synonyms

    • 3,4-DINITROTOLUENE
    • 4-Methyl-1,2-dinitrobenzene
    • 610-39-9
    • 3,4-DNT
    • Benzene, 4-methyl-1,2-dinitro-
    • Toluene, 3,4-dinitro-
    • V6PS4L6ZHT
    • 1-methyl-3,4-dinitrobenzene
    • DTXSID8027240
    • MFCD00007270
    • NSC-52216
    • DTXCID307240
    • CAS-610-39-9
    • CCRIS 2839
    • HSDB 5501
    • Dinitrotoluene, 3,4-
    • EINECS 210-222-1
    • UNII-V6PS4L6ZHT
    • NSC 52216
    • NSC52216
    • WLN: WNR D1 FNW
    • ghl.PD_Mitscher_leg0.941
    • SCHEMBL294724
    • CHEMBL1489568
    • 4-Methyl-1,2-dinitrobenzene #
    • CHEBI:142285
    • 3,4-DINITROTOLUENE [HSDB]
    • Tox21_202159
    • Tox21_303210
    • 5-METHYL-1,2-DINITROBENZENE
    • STL386600
    • AKOS015889580
    • AKOS015953311
    • NCGC00091222-01
    • NCGC00091222-02
    • NCGC00091222-03
    • NCGC00091222-04
    • NCGC00257205-01
    • NCGC00259708-01
    • NS-01599
    • DB-030889
    • CS-0263145
    • NS00009648
    • EN300-85318
    • G45776
    • 3,4-Dinitrotoluene 100 microg/mL in Acetonitrile
    • Q1992140
    • InChI=1/C7H6N2O4/c1-5-2-3-6(8(10)11)7(4-5)9(12)13/h2-4H,1H

  • Applications

    3,4-Dinitrotoluene (CAS 610-39-9) is primarily used as an industrial intermediate for energetic materials and related nitroaromatics, including serving as a feedstock in the production of TNT. It is also employed as a building block in the synthesis of dye and pigment intermediates used in coatings and inks. In addition, it is used as a nitroaromatic feedstock for the preparation of specialty chemicals in polymers and other materials, and as a starting material in organic synthesis for research and development. Handling and use are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 94.04
    methanol 114.48
    isopropanol 58.91
    water 0.2
    ethyl acetate 559.2
    n-propanol 68.25
    acetone 945.14
    n-butanol 64.62
    acetonitrile 763.83
    DMF 987.68
    toluene 128.62
    isobutanol 46.69
    1,4-dioxane 457.63
    methyl acetate 937.27
    THF 1147.67
    2-butanone 824.28
    n-pentanol 43.89
    sec-butanol 72.05
    n-hexane 4.84
    ethylene glycol 33.57
    NMP 933.54
    cyclohexane 8.97
    DMSO 994.94
    n-butyl acetate 135.79
    n-octanol 31.19
    chloroform 205.15
    n-propyl acetate 174.15
    acetic acid 98.7
    dichloromethane 412.45
    cyclohexanone 383.77
    propylene glycol 27.42
    isopropyl acetate 205.34
    DMAc 948.89
    2-ethoxyethanol 154.42
    isopentanol 64.25
    n-heptane 5.81
    ethyl formate 226.53
    1,2-dichloroethane 417.16
    n-hexanol 47.95
    2-methoxyethanol 347.52
    isobutyl acetate 68.65
    tetrachloromethane 25.14
    n-pentyl acetate 82.59
    transcutol 436.82
    n-heptanol 24.51
    ethylbenzene 58.15
    MIBK 183.85
    2-propoxyethanol 162.23
    tert-butanol 109.36
    MTBE 184.15
    2-butoxyethanol 77.03
    propionic acid 98.6
    o-xylene 74.7
    formic acid 62.26
    diethyl ether 226.72
    m-xylene 71.66
    p-xylene 66.27
    chlorobenzene 153.17
    dimethyl carbonate 282.35
    n-octane 3.54
    formamide 260.95
    cyclopentanone 878.6
    2-pentanone 444.05
    anisole 238.11
    cyclopentyl methyl ether 262.52
    gamma-butyrolactone 907.89
    1-methoxy-2-propanol 196.99
    pyridine 488.93
    3-pentanone 394.33
    furfural 592.99
    n-dodecane 4.04
    diethylene glycol 143.21
    diisopropyl ether 52.62
    tert-amyl alcohol 102.65
    acetylacetone 656.38
    n-hexadecane 4.98
    acetophenone 219.73
    methyl propionate 490.17
    isopentyl acetate 106.71
    trichloroethylene 697.07
    n-nonanol 30.32
    cyclohexanol 52.31
    benzyl alcohol 97.91
    2-ethylhexanol 32.78
    isooctanol 20.76
    dipropyl ether 56.38
    1,2-dichlorobenzene 143.72
    ethyl lactate 70.47
    propylene carbonate 291.59
    n-methylformamide 433.9
    2-pentanol 50.3
    n-pentane 5.45
    1-propoxy-2-propanol 85.9
    1-methoxy-2-propyl acetate 180.42
    2-(2-methoxypropoxy) propanol 133.68
    mesitylene 41.58
    ε-caprolactone 320.19
    p-cymene 33.31
    epichlorohydrin 1146.8
    1,1,1-trichloroethane 275.71
    2-aminoethanol 45.55
    morpholine-4-carbaldehyde 629.41
    sulfolane 741.75
    2,2,4-trimethylpentane 4.86
    2-methyltetrahydrofuran 629.09
    n-hexyl acetate 125.6
    isooctane 3.7
    2-(2-butoxyethoxy)ethanol 153.62
    sec-butyl acetate 109.18
    tert-butyl acetate 230.98
    decalin 8.52
    glycerin 47.34
    diglyme 348.75
    acrylic acid 107.8
    isopropyl myristate 50.54
    n-butyric acid 107.9
    acetyl acetate 326.36
    di(2-ethylhexyl) phthalate 49.33
    ethyl propionate 208.04
    nitromethane 1245.22
    1,2-diethoxyethane 156.28
    benzonitrile 166.91
    trioctyl phosphate 32.34
    1-bromopropane 149.9
    gamma-valerolactone 695.28
    n-decanol 24.73
    triethyl phosphate 57.91
    4-methyl-2-pentanol 31.56
    propionitrile 260.24
    vinylene carbonate 237.21
    1,1,2-trichlorotrifluoroethane 279.43
    DMS 223.7
    cumene 32.59
    2-octanol 19.72
    2-hexanone 186.47
    octyl acetate 67.92
    limonene 46.85
    1,2-dimethoxyethane 396.3
    ethyl orthosilicate 46.63
    tributyl phosphate 45.94
    diacetone alcohol 258.42
    N,N-dimethylaniline 114.25
    acrylonitrile 450.31
    aniline 121.81
    1,3-propanediol 76.5
    bromobenzene 168.09
    dibromomethane 216.65
    1,1,2,2-tetrachloroethane 347.42
    2-methyl-cyclohexyl acetate 78.09
    tetrabutyl urea 68.75
    diisobutyl methanol 23.78
    2-phenylethanol 97.35
    styrene 79.25
    dioctyl adipate 76.81
    dimethyl sulfate 411.8
    ethyl butyrate 105.78
    methyl lactate 148.29
    butyl lactate 50.68
    diethyl carbonate 83.25
    propanediol butyl ether 66.01
    triethyl orthoformate 58.44
    p-tert-butyltoluene 33.17
    methyl 4-tert-butylbenzoate 129.12
    morpholine 438.03
    tert-butylamine 43.0
    n-dodecanol 20.18
    dimethoxymethane 572.99
    ethylene carbonate 171.53
    cyrene 152.18
    2-ethoxyethyl acetate 178.42
    2-ethylhexyl acetate 84.67
    1,2,4-trichlorobenzene 188.58
    4-methylpyridine 420.79
    dibutyl ether 56.18
    2,6-dimethyl-4-heptanol 23.78
    DEF 443.54
    dimethyl isosorbide 280.47
    tetrachloroethylene 180.16
    eugenol 115.18
    triacetin 143.57
    span 80 69.28
    1,4-butanediol 29.01
    1,1-dichloroethane 276.61
    2-methyl-1-pentanol 46.97
    methyl formate 463.45
    2-methyl-1-butanol 59.59
    n-decane 5.69
    butyronitrile 166.55
    3,7-dimethyl-1-octanol 38.06
    1-chlorooctane 29.3
    1-chlorotetradecane 15.33
    n-nonane 4.99
    undecane 4.81
    tert-butylcyclohexane 7.16
    cyclooctane 3.99
    cyclopentanol 87.59
    tetrahydropyran 292.8
    tert-amyl methyl ether 163.05
    2,5,8-trioxanonane 260.69
    1-hexene 25.87
    2-isopropoxyethanol 95.55
    2,2,2-trifluoroethanol 76.85
    methyl butyrate 241.68

    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