2,4-Dichloroaniline

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  • Identifiers

    CAS number
    554-00-7

    Molecular formula
    C6H5Cl2N

    SMILES
    C1=CC(=C(C=C1Cl)Cl)N

    Safety labels

    Acute Toxic
    Acute Toxic

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Phenolic 33.9%
    Animal 33.05%
    Burnt 31.72%
    Meaty 29.01%
    Odorless 28.93%
    Smoky 26.15%
    Sweet 25.48%
    Musty 22.86%
    Fishy 22.12%
    Cheesy 21.86%

     

    Flavor
    Bitter 31.55%
    Mild 27.87%
    Meaty 24.41%
    Odorless 24.13%
    Very strong 20.52%
    Nitrile 20.36%
    Roasted 20.33%
    Indole 20.18%
    Penetrating 20.11%
    Scallion 19.99%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.9

    pKa est.
    4.27 (weak acid)

    Molecular weight
    162.01 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Melting point expt.

    • 145 to 147 °F (NTP, 1992)
    • 63-64 °C

    Boiling point

    • 473 °F at 760 mmHg (NTP, 1992)
    • 245 °C AT 760 mm Hg
    • 245 °C

    Flash point

    • 122.01 ˚C est.
    • 115 °C

    Solubility expt.

    • less than 1 mg/mL at 73 °F (NTP, 1992)
    • Slightly soluble in water, alcohol, and ether.
    • Solubility in water: none

  • Synonyms

    • 2,4-DICHLOROANILINE
    • 554-00-7
    • Benzenamine, 2,4-dichloro-
    • 2,4-Dichlorobenzenamine
    • 2,4-Dichloranilin
    • o,p-Dichloroaniline
    • Aniline, 2,4-dichloro-
    • 2,4-DCA
    • 1-Amino-2,4-dichlorobenzene
    • 2,4-Dichlorophenylamine
    • 2,4-Dichloranilin [German]
    • 2,4-Dichloro Aniline
    • CCRIS 6012
    • HSDB 5428
    • 2,4-Dichloro-phenylamine
    • NSC 8756
    • EINECS 209-057-8
    • MFCD00007661
    • BRN 0386422
    • 19AE42M6WS
    • DTXSID1024966
    • CHEBI:46635
    • NSC-8756
    • DTXCID404966
    • DICHLOROANILINE, 2,4-
    • EC 209-057-8
    • 4-12-00-01241 (Beilstein Handbook Reference)
    • 2,4-DICHLOROANILINE [HSDB]
    • 2,4-DICHLORANILIN (GERMAN)
    • CAS-554-00-7
    • 2,4-dichlorobenzene aniline
    • UNII-19AE42M6WS
    • 2,4-dichloraniline
    • 2,4-dichloroanilin
    • 2,4-di-chloroaniline
    • 2,4-dichloro-aniline
    • WLN: ZR BG DG
    • 2,4-bis(chloranyl)aniline
    • 2,4DICHLORO ANILINE
    • 2,4-Dichloroaniline, 99%
    • 2,4-Dichloroaniline, Pract.
    • BIDD:ER0533
    • SCHEMBL158279
    • CHEMBL1528820
    • NSC8756
    • Tox21_201522
    • Tox21_303206
    • STL168887
    • AKOS000118881
    • CCG-302558
    • FD36980
    • PS-6249
    • RP10174
    • NCGC00091375-01
    • NCGC00091375-02
    • NCGC00091375-03
    • NCGC00257110-01
    • NCGC00259072-01
    • 2,4-Dichloroaniline, >=97.0% (GC)
    • AC-10180
    • DB-030787
    • D0321
    • NS00009494
    • EN300-18059
    • 2,4-Dichloroaniline 100 microg/mL in Methanol
    • A830623
    • Q3102438
    • Z57127562
    • 2,4-Dichloroaniline, PESTANAL(R), analytical standard
    • F2190-0455
    • 209-057-8

  • Applications

    2,4-Dichloroaniline (CAS 554-00-7) is used primarily as an organic synthesis intermediate across several industries: as a feedstock for the production of colors and pigments in the dye sector; as a precursor for agrochemicals, including herbicides; as a building block in polymers and as a curing agent for epoxy and polyurethane resins; as a precursor for coatings and inks in coatings and printing applications; and as an intermediate in pharmaceutical synthesis, supporting research and production of pharmaceutical ingredients.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 20.2
    methanol 20.72
    isopropanol 15.19
    water 0.45
    ethyl acetate 24.83
    n-propanol 18.64
    acetone 56.88
    n-butanol 17.44
    acetonitrile 19.94
    DMF 98.64
    toluene 6.88
    isobutanol 11.39
    1,4-dioxane 53.01
    methyl acetate 41.01
    THF 129.33
    2-butanone 53.2
    n-pentanol 17.96
    sec-butanol 16.16
    n-hexane 0.38
    ethylene glycol 6.17
    NMP 44.4
    cyclohexane 0.33
    DMSO 36.18
    n-butyl acetate 32.01
    n-octanol 16.85
    chloroform 24.82
    n-propyl acetate 27.44
    acetic acid 25.28
    dichloromethane 15.5
    cyclohexanone 31.03
    propylene glycol 9.2
    isopropyl acetate 20.11
    DMAc 122.8
    2-ethoxyethanol 43.27
    isopentanol 16.24
    n-heptane 1.86
    ethyl formate 25.58
    1,2-dichloroethane 11.74
    n-hexanol 22.67
    2-methoxyethanol 52.08
    isobutyl acetate 21.29
    tetrachloromethane 5.09
    n-pentyl acetate 26.18
    transcutol 94.86
    n-heptanol 20.15
    ethylbenzene 6.94
    MIBK 21.74
    2-propoxyethanol 50.26
    tert-butanol 24.22
    MTBE 26.41
    2-butoxyethanol 42.33
    propionic acid 14.78
    o-xylene 7.35
    formic acid 13.52
    diethyl ether 15.44
    m-xylene 6.68
    p-xylene 10.91
    chlorobenzene 10.5
    dimethyl carbonate 19.84
    n-octane 1.18
    formamide 29.13
    cyclopentanone 58.88
    2-pentanone 30.28
    anisole 35.1
    cyclopentyl methyl ether 24.49
    gamma-butyrolactone 54.53
    1-methoxy-2-propanol 38.75
    pyridine 41.82
    3-pentanone 21.68
    furfural 62.74
    n-dodecane 1.23
    diethylene glycol 33.15
    diisopropyl ether 5.79
    tert-amyl alcohol 23.16
    acetylacetone 42.03
    n-hexadecane 1.36
    acetophenone 32.96
    methyl propionate 24.22
    isopentyl acetate 31.3
    trichloroethylene 41.58
    n-nonanol 16.34
    cyclohexanol 9.7
    benzyl alcohol 22.94
    2-ethylhexanol 18.11
    isooctanol 17.31
    dipropyl ether 18.82
    1,2-dichlorobenzene 11.28
    ethyl lactate 16.68
    propylene carbonate 31.06
    n-methylformamide 36.89
    2-pentanol 11.96
    n-pentane 0.36
    1-propoxy-2-propanol 38.75
    1-methoxy-2-propyl acetate 39.62
    2-(2-methoxypropoxy) propanol 40.91
    mesitylene 4.65
    ε-caprolactone 33.15
    p-cymene 10.15
    epichlorohydrin 62.1
    1,1,1-trichloroethane 17.95
    2-aminoethanol 12.57
    morpholine-4-carbaldehyde 63.78
    sulfolane 39.36
    2,2,4-trimethylpentane 0.95
    2-methyltetrahydrofuran 44.73
    n-hexyl acetate 27.4
    isooctane 0.83
    2-(2-butoxyethoxy)ethanol 48.31
    sec-butyl acetate 20.26
    tert-butyl acetate 29.15
    decalin 0.96
    glycerin 16.31
    diglyme 96.83
    acrylic acid 15.13
    isopropyl myristate 14.03
    n-butyric acid 21.7
    acetyl acetate 20.49
    di(2-ethylhexyl) phthalate 15.31
    ethyl propionate 19.81
    nitromethane 61.75
    1,2-diethoxyethane 41.23
    benzonitrile 22.71
    trioctyl phosphate 11.52
    1-bromopropane 5.98
    gamma-valerolactone 78.72
    n-decanol 12.74
    triethyl phosphate 15.01
    4-methyl-2-pentanol 11.2
    propionitrile 17.8
    vinylene carbonate 30.76
    1,1,2-trichlorotrifluoroethane 51.54
    DMS 20.9
    cumene 6.74
    2-octanol 14.17
    2-hexanone 34.53
    octyl acetate 17.54
    limonene 12.35
    1,2-dimethoxyethane 85.33
    ethyl orthosilicate 15.33
    tributyl phosphate 12.09
    diacetone alcohol 40.07
    N,N-dimethylaniline 26.79
    acrylonitrile 23.84
    aniline 17.35
    1,3-propanediol 19.72
    bromobenzene 8.02
    dibromomethane 7.86
    1,1,2,2-tetrachloroethane 29.31
    2-methyl-cyclohexyl acetate 25.24
    tetrabutyl urea 19.39
    diisobutyl methanol 12.85
    2-phenylethanol 30.01
    styrene 7.79
    dioctyl adipate 19.88
    dimethyl sulfate 27.14
    ethyl butyrate 27.14
    methyl lactate 19.54
    butyl lactate 22.81
    diethyl carbonate 18.06
    propanediol butyl ether 32.61
    triethyl orthoformate 22.04
    p-tert-butyltoluene 11.23
    methyl 4-tert-butylbenzoate 34.21
    morpholine 53.94
    tert-butylamine 11.56
    n-dodecanol 10.12
    dimethoxymethane 56.71
    ethylene carbonate 21.35
    cyrene 39.23
    2-ethoxyethyl acetate 36.04
    2-ethylhexyl acetate 24.82
    1,2,4-trichlorobenzene 15.73
    4-methylpyridine 37.13
    dibutyl ether 17.7
    2,6-dimethyl-4-heptanol 12.85
    DEF 32.17
    dimethyl isosorbide 71.55
    tetrachloroethylene 19.15
    eugenol 40.02
    triacetin 27.31
    span 80 29.89
    1,4-butanediol 10.34
    1,1-dichloroethane 13.32
    2-methyl-1-pentanol 17.51
    methyl formate 33.67
    2-methyl-1-butanol 14.47
    n-decane 1.87
    butyronitrile 18.73
    3,7-dimethyl-1-octanol 16.39
    1-chlorooctane 7.93
    1-chlorotetradecane 3.89
    n-nonane 1.51
    undecane 1.46
    tert-butylcyclohexane 1.45
    cyclooctane 0.26
    cyclopentanol 14.15
    tetrahydropyran 29.39
    tert-amyl methyl ether 21.95
    2,5,8-trioxanonane 69.68
    1-hexene 3.02
    2-isopropoxyethanol 32.97
    2,2,2-trifluoroethanol 15.5
    methyl butyrate 27.97

    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