Dichloran

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  • Identifiers

    CAS number
    99-30-9

    Molecular formula
    C6H4Cl2N2O2

    SMILES
    C1=C(C=C(C(=C1Cl)N)Cl)[N+](=O)[O-]

    Safety labels

    Acute Toxic
    Acute Toxic

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Odorless 57.67%
    Sweet 23.93%
    Musk 22.95%
    Powdery 21.23%
    Bitter 21.02%
    Fatty 20.66%
    Burnt 20.57%
    Animal 19.88%
    Dry 19.63%
    Milky 18.9%

     

    Flavor
    Bitter 71.38%
    Odorless 50.01%
    Mild 29.95%
    Bland 22.71%
    Nitrile 20.96%
    Sweet-like 20.85%
    Very strong 20.03%
    Orange flower 19.68%
    Bread crust 19.65%
    Indole 19.49%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.9

    pKa est.
    5.97 (weak acid)

    Molecular weight
    207.01 g/mol

    Melting point expt.

    • 374 to 378 °F (NTP, 1992)
    • 195 °C

    Boiling point

    • at 0.27kPa: 130 °C

    Flash point

    • 161.75 ˚C est.

    Solubility expt.

    • less than 0.1 mg/mL at 77 °F (NTP, 1992)
    • In water, 6.3 mg/L at 20 °C
    • Soluble in ethanol and acid; slightly soluble in DMSO
    • All in g/L at 20 °C: 34 acetone; 4.6 benzene; 12 chloroform; 60 cyclohexane; 40 dioxane; 19 ethyl acetate
    • SLIGHTLY SOL IN NON-POLAR SOLVENTS
    • Solubility in water at 20 °C: none

  • Synonyms

    • 2,6-DICHLORO-4-NITROANILINE
    • 99-30-9
    • Dichloran
    • Dicloran
    • Allisan
    • Botran
    • DCNA
    • Ditranil
    • Bortran
    • Resisan
    • 2,6-Dichloro-4-nitrobenzenamine
    • Benzenamine, 2,6-dichloro-4-nitro-
    • Batran
    • 2,6-Dichlor-4-nitroanilin
    • DCNA (fungicide)
    • CDNA
    • 4-Nitro-2,6-dichloroaniline
    • Dicloran [BSI]
    • Botran 45W
    • Dichloran (amine fungicide)
    • AL-50
    • Aniline, 2,6-dichloro-4-nitro-
    • CCRIS 3111
    • RD-6584
    • 4-Nitroaniline, 2,6-dichloro-
    • HSDB 1570
    • NSC 218
    • UNII-F0BE9UC5J7
    • EINECS 202-746-4
    • Botran 75b
    • Botran 75w
    • U-2069
    • EPA Pesticide Chemical Code 031301
    • BRN 1459581
    • CURITAL
    • FUBOTRAN
    • GRIMACIT
    • REGESAN
    • RESINAN
    • 2,6-dichloro-4-nitro-aniline
    • CNA
    • DTXSID2020426
    • CHEBI:27864
    • AI3-08870
    • NSC-218
    • DICLORAN [HSDB]
    • MFCD00007677
    • F0BE9UC5J7
    • 2,6-Dichloro-p-nitroaniline
    • DTXCID60426
    • 2,6-Dichloro-4-nitrobenzeneamine
    • 4-12-00-01681 (Beilstein Handbook Reference)
    • 1-Amino-2,6-dichloro-4-nitrobenzene
    • Caswell No. 311
    • alizan
    • CAS-99-30-9
    • 2,?6-?Dichloro-?4-?nitroaniline (Dichloran)
    • AI3-08870 (USDA)
    • 2,6-Dichlor-4-nitroanilin [Czech]
    • 2,6-dichlor-4-nitroaniline
    • 2,6-Dichloro-4-nitroaniline-13C6(Dichloran-13C6)
    • DCNA(FUNGICIDE)
    • 2,6Dichlor4nitroanilin
    • 2,6Dichloro4nitroaniline
    • 4Nitro2,6dichloroaniline
    • 2,6-dichloro-4nitroaniline
    • WLN: ZR BG FG DNW
    • 4-Nitroaniline,6-dichloro-
    • 4Nitroaniline, 2,6dichloro
    • 2,6-dichloro-4-nitroanilin
    • 2,6Dichloro4nitrobenzenamine
    • MLS002152899
    • Aniline,6-dichloro-4-nitro-
    • BIDD:ER0704
    • Dichloran, analytical standard
    • SCHEMBL229362
    • CHEMBL504381
    • NSC218
    • Benzenamine,6-dichloro-4-nitro-
    • DICHLORAN(AMINE FUNGICIDE)
    • STR00347
    • Tox21_202341
    • Tox21_300838
    • RD6584
    • STK391975
    • 2,6-Dichloro-4-nitroaniline, 96%
    • Dicloran 10 microg/mL in Cyclohexane
    • AKOS000120531
    • AKOS040744733
    • CS-W021045
    • FD14274
    • 2, 6 - dichloro - 4 - nitroaniline
    • NCGC00091358-01
    • NCGC00091358-02
    • NCGC00091358-03
    • NCGC00091358-04
    • NCGC00091358-05
    • NCGC00254742-01
    • NCGC00259890-01
    • AC-11325
    • SMR000777926
    • DB-057776
    • D0385
    • NS00006107
    • U2069
    • Dichloran, PESTANAL(R), analytical standard
    • EN300-20800
    • D78131
    • Q2217808
    • Dichloran, certified reference material, TraceCERT(R)

  • Applications

    Dichloran (CAS 99-30-9) is primarily used as an intermediate in the synthesis of specialty chemicals and as a processing aid or solvent in industrial manufacturing; in coatings/inks, it is employed as a solvent or additive for coating formulations and printing inks; in the polymers/plastics sector, it is evaluated as a precursor or processing aid for plastics and composite materials; in adhesives, it may serve as a solvent or formulation component depending on the recipe.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5.71
    methanol 6.03
    isopropanol 4.12
    water 0.08
    ethyl acetate 34.18
    n-propanol 5.24
    acetone 55.83
    n-butanol 5.0
    acetonitrile 11.88
    DMF 122.35
    toluene 6.45
    isobutanol 4.17
    1,4-dioxane 70.69
    methyl acetate 59.16
    THF 128.34
    2-butanone 60.05
    n-pentanol 6.36
    sec-butanol 6.13
    n-hexane 0.34
    ethylene glycol 5.91
    NMP 356.74
    cyclohexane 0.55
    DMSO 73.65
    n-butyl acetate 34.17
    n-octanol 6.12
    chloroform 9.3
    n-propyl acetate 31.74
    acetic acid 21.11
    dichloromethane 17.53
    cyclohexanone 58.95
    propylene glycol 5.15
    isopropyl acetate 25.54
    DMAc 213.13
    2-ethoxyethanol 28.42
    isopentanol 5.87
    n-heptane 1.1
    ethyl formate 20.17
    1,2-dichloroethane 16.45
    n-hexanol 8.84
    2-methoxyethanol 30.99
    isobutyl acetate 18.66
    tetrachloromethane 1.22
    n-pentyl acetate 22.9
    transcutol 96.67
    n-heptanol 7.12
    ethylbenzene 5.98
    MIBK 20.35
    2-propoxyethanol 34.64
    tert-butanol 8.04
    MTBE 21.38
    2-butoxyethanol 23.43
    propionic acid 15.21
    o-xylene 8.72
    formic acid 13.45
    diethyl ether 13.75
    m-xylene 5.26
    p-xylene 9.68
    chlorobenzene 9.26
    dimethyl carbonate 32.58
    n-octane 0.51
    formamide 32.82
    cyclopentanone 115.72
    2-pentanone 29.4
    anisole 38.63
    cyclopentyl methyl ether 33.25
    gamma-butyrolactone 138.46
    1-methoxy-2-propanol 22.21
    pyridine 52.7
    3-pentanone 33.59
    furfural 121.22
    n-dodecane 0.53
    diethylene glycol 29.38
    diisopropyl ether 6.55
    tert-amyl alcohol 11.12
    acetylacetone 77.03
    n-hexadecane 0.64
    acetophenone 51.38
    methyl propionate 36.49
    isopentyl acetate 30.74
    trichloroethylene 39.99
    n-nonanol 6.66
    cyclohexanol 7.07
    benzyl alcohol 19.12
    2-ethylhexanol 8.9
    isooctanol 6.39
    dipropyl ether 14.8
    1,2-dichlorobenzene 11.86
    ethyl lactate 18.84
    propylene carbonate 57.29
    n-methylformamide 33.09
    2-pentanol 4.52
    n-pentane 0.37
    1-propoxy-2-propanol 25.21
    1-methoxy-2-propyl acetate 54.55
    2-(2-methoxypropoxy) propanol 41.79
    mesitylene 3.87
    ε-caprolactone 67.95
    p-cymene 8.93
    epichlorohydrin 107.23
    1,1,1-trichloroethane 10.85
    2-aminoethanol 6.8
    morpholine-4-carbaldehyde 190.68
    sulfolane 168.68
    2,2,4-trimethylpentane 0.57
    2-methyltetrahydrofuran 71.93
    n-hexyl acetate 25.46
    isooctane 0.35
    2-(2-butoxyethoxy)ethanol 40.87
    sec-butyl acetate 24.34
    tert-butyl acetate 39.03
    decalin 0.7
    glycerin 12.03
    diglyme 97.12
    acrylic acid 21.12
    isopropyl myristate 13.46
    n-butyric acid 12.58
    acetyl acetate 37.3
    di(2-ethylhexyl) phthalate 16.61
    ethyl propionate 30.01
    nitromethane 98.01
    1,2-diethoxyethane 40.39
    benzonitrile 22.21
    trioctyl phosphate 10.2
    1-bromopropane 5.68
    gamma-valerolactone 150.14
    n-decanol 5.36
    triethyl phosphate 20.12
    4-methyl-2-pentanol 4.11
    propionitrile 9.56
    vinylene carbonate 47.21
    1,1,2-trichlorotrifluoroethane 68.89
    DMS 47.42
    cumene 5.24
    2-octanol 5.2
    2-hexanone 34.87
    octyl acetate 17.34
    limonene 12.22
    1,2-dimethoxyethane 68.25
    ethyl orthosilicate 17.14
    tributyl phosphate 12.99
    diacetone alcohol 37.05
    N,N-dimethylaniline 26.22
    acrylonitrile 18.26
    aniline 12.39
    1,3-propanediol 8.64
    bromobenzene 7.6
    dibromomethane 6.97
    1,1,2,2-tetrachloroethane 24.97
    2-methyl-cyclohexyl acetate 31.48
    tetrabutyl urea 21.55
    diisobutyl methanol 6.43
    2-phenylethanol 22.97
    styrene 7.39
    dioctyl adipate 27.58
    dimethyl sulfate 73.62
    ethyl butyrate 30.41
    methyl lactate 23.87
    butyl lactate 17.77
    diethyl carbonate 23.23
    propanediol butyl ether 19.05
    triethyl orthoformate 24.6
    p-tert-butyltoluene 8.63
    methyl 4-tert-butylbenzoate 39.92
    morpholine 59.75
    tert-butylamine 3.96
    n-dodecanol 4.31
    dimethoxymethane 47.57
    ethylene carbonate 31.35
    cyrene 72.0
    2-ethoxyethyl acetate 51.13
    2-ethylhexyl acetate 26.81
    1,2,4-trichlorobenzene 22.57
    4-methylpyridine 44.54
    dibutyl ether 10.7
    2,6-dimethyl-4-heptanol 6.43
    DEF 53.8
    dimethyl isosorbide 96.18
    tetrachloroethylene 15.21
    eugenol 36.29
    triacetin 53.13
    span 80 25.42
    1,4-butanediol 6.06
    1,1-dichloroethane 9.75
    2-methyl-1-pentanol 7.94
    methyl formate 39.09
    2-methyl-1-butanol 6.16
    n-decane 0.8
    butyronitrile 7.98
    3,7-dimethyl-1-octanol 7.08
    1-chlorooctane 3.78
    1-chlorotetradecane 2.04
    n-nonane 0.65
    undecane 0.65
    tert-butylcyclohexane 0.76
    cyclooctane 0.32
    cyclopentanol 12.42
    tetrahydropyran 28.89
    tert-amyl methyl ether 22.23
    2,5,8-trioxanonane 80.23
    1-hexene 1.98
    2-isopropoxyethanol 23.26
    2,2,2-trifluoroethanol 17.38
    methyl butyrate 34.91

    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