Chlorodinitrobenzenes

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  • Identifiers

    CAS number
    25567-67-3

    Molecular formula
    C6H3ClN2O4

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

  • Odor profile

    Fragrance
    Sweet 52.39%
    Odorless 46.13%
    Powdery 35.26%
    Fatty 35.08%
    Musk 32.92%
    Floral 29.66%
    Dry 26.27%
    Honey 24.99%
    Creamy 24.17%
    Vanilla 22.24%

     

    Flavor
    Bitter 66.12%
    Odorless 53.02%
    Mild 27.69%
    Very mild 22.44%
    Bland 22.25%
    Nitrile 21.11%
    Bread crust 20.15%
    Sweet-like 20.08%
    Yeast 19.69%
    Roasted peanuts 19.55%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.3

    pKa est.
    6.07 (neutral)

    Molecular weight
    202.55 g/mol

    Flash point

    • 140.87 ˚C est.

  • Synonyms

    • 1-chloro-2,3-dinitrobenzene
    • Benzene, chlorodinitro-
    • Chlorodinitrobenzenes
    • 25567-67-3
    • 602-02-8
    • Benzene, 1-chloro-2,3-dinitro-
    • 5VA83XCB6B
    • Dinitrochlorobenzenes
    • EINECS 247-109-1
    • UNII-5VA83XCB6B
    • Chlorodinitrobenzene, all isomers
    • SCHEMBL41402
    • DTXSID20948455
    • KYDXWCHDUCDNGR-UHFFFAOYSA-N
    • Chlorodinitrobenzenes [UN1577] [Poison]
    • NS00052140
    • Q26840933

  • Applications

    Chlorodinitrobenzenes (CAS 25567-67-3) are aryl chlorinated dinitro compounds that are primarily used as building blocks in organic synthesis; in industry they are commonly employed as intermediates for the manufacture of azo dyes and pigments. They are also used as precursors in the synthesis of agrochemicals and pharmaceutical agents, and may serve as starting materials in polymer and coating chemistries, including functionalized monomers and crosslinking agents for coatings and plastics. In addition, they find use in specialty organic synthesis and research development, with actual applications dependent on local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 63.27
    methanol 91.04
    isopropanol 34.09
    water 0.15
    ethyl acetate 486.02
    n-propanol 53.73
    acetone 698.38
    n-butanol 43.09
    acetonitrile 553.49
    DMF 1198.35
    toluene 103.74
    isobutanol 29.27
    1,4-dioxane 584.37
    methyl acetate 686.17
    THF 1096.46
    2-butanone 537.19
    n-pentanol 52.13
    sec-butanol 52.46
    n-hexane 7.91
    ethylene glycol 44.09
    NMP 656.54
    cyclohexane 12.18
    DMSO 1123.61
    n-butyl acetate 166.85
    n-octanol 70.66
    chloroform 209.94
    n-propyl acetate 231.25
    acetic acid 91.11
    dichloromethane 342.22
    cyclohexanone 318.43
    propylene glycol 23.32
    isopropyl acetate 198.1
    DMAc 1039.2
    2-ethoxyethanol 242.34
    isopentanol 39.88
    n-heptane 9.21
    ethyl formate 197.08
    1,2-dichloroethane 391.02
    n-hexanol 49.84
    2-methoxyethanol 365.54
    isobutyl acetate 75.89
    tetrachloromethane 37.2
    n-pentyl acetate 131.14
    transcutol 1003.0
    n-heptanol 36.31
    ethylbenzene 71.76
    MIBK 153.55
    2-propoxyethanol 220.31
    tert-butanol 63.96
    MTBE 141.19
    2-butoxyethanol 111.37
    propionic acid 74.64
    o-xylene 81.66
    formic acid 62.93
    diethyl ether 238.79
    m-xylene 69.36
    p-xylene 73.86
    chlorobenzene 106.0
    dimethyl carbonate 313.82
    n-octane 8.63
    formamide 246.65
    cyclopentanone 583.21
    2-pentanone 325.72
    anisole 280.96
    cyclopentyl methyl ether 268.04
    gamma-butyrolactone 647.13
    1-methoxy-2-propanol 196.98
    pyridine 369.93
    3-pentanone 348.19
    furfural 535.27
    n-dodecane 10.99
    diethylene glycol 221.72
    diisopropyl ether 61.27
    tert-amyl alcohol 77.01
    acetylacetone 688.21
    n-hexadecane 13.1
    acetophenone 257.55
    methyl propionate 438.5
    isopentyl acetate 116.03
    trichloroethylene 619.47
    n-nonanol 69.76
    cyclohexanol 49.02
    benzyl alcohol 111.75
    2-ethylhexanol 43.18
    isooctanol 29.04
    dipropyl ether 88.15
    1,2-dichlorobenzene 126.52
    ethyl lactate 105.1
    propylene carbonate 196.51
    n-methylformamide 387.08
    2-pentanol 38.12
    n-pentane 5.86
    1-propoxy-2-propanol 121.67
    1-methoxy-2-propyl acetate 230.06
    2-(2-methoxypropoxy) propanol 216.53
    mesitylene 48.89
    ε-caprolactone 282.14
    p-cymene 44.34
    epichlorohydrin 870.05
    1,1,1-trichloroethane 243.15
    2-aminoethanol 49.19
    morpholine-4-carbaldehyde 760.55
    sulfolane 662.6
    2,2,4-trimethylpentane 5.74
    2-methyltetrahydrofuran 411.47
    n-hexyl acetate 205.74
    isooctane 4.19
    2-(2-butoxyethoxy)ethanol 286.84
    sec-butyl acetate 134.48
    tert-butyl acetate 229.52
    decalin 13.8
    glycerin 53.41
    diglyme 605.67
    acrylic acid 91.69
    isopropyl myristate 95.32
    n-butyric acid 72.71
    acetyl acetate 321.89
    di(2-ethylhexyl) phthalate 64.81
    ethyl propionate 292.7
    nitromethane 1205.44
    1,2-diethoxyethane 348.22
    benzonitrile 181.71
    trioctyl phosphate 52.73
    1-bromopropane 122.43
    gamma-valerolactone 623.65
    n-decanol 56.68
    triethyl phosphate 86.28
    4-methyl-2-pentanol 24.91
    propionitrile 205.37
    vinylene carbonate 197.88
    1,1,2-trichlorotrifluoroethane 337.97
    DMS 300.54
    cumene 41.1
    2-octanol 36.77
    2-hexanone 236.75
    octyl acetate 122.65
    limonene 57.34
    1,2-dimethoxyethane 665.46
    ethyl orthosilicate 66.39
    tributyl phosphate 71.38
    diacetone alcohol 222.19
    N,N-dimethylaniline 144.01
    acrylonitrile 386.24
    aniline 86.27
    1,3-propanediol 67.33
    bromobenzene 134.14
    dibromomethane 178.95
    1,1,2,2-tetrachloroethane 354.53
    2-methyl-cyclohexyl acetate 101.86
    tetrabutyl urea 119.27
    diisobutyl methanol 31.66
    2-phenylethanol 112.04
    styrene 91.72
    dioctyl adipate 126.15
    dimethyl sulfate 552.98
    ethyl butyrate 148.9
    methyl lactate 160.93
    butyl lactate 87.08
    diethyl carbonate 109.94
    propanediol butyl ether 122.9
    triethyl orthoformate 87.65
    p-tert-butyltoluene 44.1
    methyl 4-tert-butylbenzoate 158.82
    morpholine 465.75
    tert-butylamine 28.07
    n-dodecanol 45.18
    dimethoxymethane 742.04
    ethylene carbonate 150.86
    cyrene 187.07
    2-ethoxyethyl acetate 284.94
    2-ethylhexyl acetate 102.69
    1,2,4-trichlorobenzene 150.52
    4-methylpyridine 287.64
    dibutyl ether 127.67
    2,6-dimethyl-4-heptanol 31.66
    DEF 468.99
    dimethyl isosorbide 367.93
    tetrachloroethylene 227.78
    eugenol 176.82
    triacetin 239.39
    span 80 115.72
    1,4-butanediol 39.04
    1,1-dichloroethane 191.43
    2-methyl-1-pentanol 50.76
    methyl formate 475.91
    2-methyl-1-butanol 41.12
    n-decane 15.87
    butyronitrile 127.4
    3,7-dimethyl-1-octanol 63.54
    1-chlorooctane 63.04
    1-chlorotetradecane 33.46
    n-nonane 14.0
    undecane 13.19
    tert-butylcyclohexane 10.01
    cyclooctane 8.27
    cyclopentanol 65.82
    tetrahydropyran 261.07
    tert-amyl methyl ether 155.44
    2,5,8-trioxanonane 457.95
    1-hexene 32.6
    2-isopropoxyethanol 144.75
    2,2,2-trifluoroethanol 73.96
    methyl butyrate 296.78

    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