Dichloroacetamide

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  • Identifiers

    CAS number
    683-72-7

    Molecular formula
    C2H3Cl2NO

    SMILES
    C(C(=O)N)(Cl)Cl

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 65.0%
    Sweet 28.86%
    Savory 26.23%
    Fishy 24.62%
    Cooling 19.08%
    Meaty 18.11%
    Bitter 15.9%
    Burnt 14.55%
    Milky 14.28%
    Pungent 14.22%

     

    Flavor
    Odorless 52.75%
    Mild 26.19%
    Bland 23.48%
    Roasted 22.41%
    Cooked 22.39%
    Sulfury 21.96%
    Bitter 20.22%
    Yeast 19.93%
    Sweet-like 19.64%
    Nitrile 19.55%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.2

    pKa est.
    5.07 (weak acid)

    Molecular weight
    127.95 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    261°C

    Flash point

    • 96.75 ˚C est.

  • Synonyms

    • 2,2-Dichloroacetamide
    • Dichloroacetamide
    • 683-72-7
    • Acetamide, 2,2-dichloro-
    • ACETAMIDE, DICHLORO-
    • I202LTA03D
    • DTXSID8021561
    • NSC-402025
    • DTXCID301561
    • RefChem:80985
    • 211-674-2
    • MFCD00008015
    • 2,2-Dichloro-acetamide
    • 2 pound not2-Dichloroacetamide
    • CHEMBL156653
    • C2H3Cl2NO
    • 2,2'-Dichloroacetamide
    • EINECS 211-674-2
    • NSC 402025
    • BRN 1743236
    • UNII-I202LTA03D
    • AI3-60126
    • WLN: GNGV1
    • SCHEMBL44759
    • 4-02-00-00505 (Beilstein Handbook Reference)
    • SCHEMBL122849
    • SCHEMBL11380214
    • BB_SC-08831
    • STR00269
    • Tox21_200050
    • BBL013005
    • BDBM50226208
    • NSC402025
    • STL163868
    • AKOS005715852
    • NCGC00248506-01
    • NCGC00257604-01
    • CAS-683-72-7
    • SY049540
    • DB-055144
    • CS-0149993
    • D0306
    • NS00008533
    • ST45021346
    • EN300-66582
    • 83D727
    • D89626
    • F357306
    • Q5272474
    • 683-72-7

  • Applications

    Dichloroacetamide (CAS 683-72-7) is primarily used as an intermediate in organic synthesis, providing a building block for the production of pharmaceuticals, agrochemicals, and other specialty chemicals. It acts as a dichloroacetylating reagent to introduce the dichloroacetyl group into organic molecules and can serve as a precursor in the synthesis of polymers and coatings. It is commonly evaluated for process development and scale-up in industrial manufacturing, under appropriate handling and regulatory controls.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 38.28
    methanol 73.83
    isopropanol 29.83
    water 52.84
    ethyl acetate 10.81
    n-propanol 27.38
    acetone 93.55
    n-butanol 18.74
    acetonitrile 26.92
    DMF 426.36
    toluene 2.49
    isobutanol 18.7
    1,4-dioxane 37.37
    methyl acetate 23.45
    THF 70.75
    2-butanone 38.9
    n-pentanol 14.12
    sec-butanol 20.53
    n-hexane 1.6
    ethylene glycol 39.1
    NMP 281.96
    cyclohexane 2.1
    DMSO 354.78
    n-butyl acetate 11.47
    n-octanol 8.43
    chloroform 3.26
    n-propyl acetate 11.71
    acetic acid 50.76
    dichloromethane 4.99
    cyclohexanone 37.09
    propylene glycol 27.69
    isopropyl acetate 9.17
    DMAc 381.36
    2-ethoxyethanol 50.23
    isopentanol 15.06
    n-heptane 2.76
    ethyl formate 22.54
    1,2-dichloroethane 7.16
    n-hexanol 10.92
    2-methoxyethanol 85.49
    isobutyl acetate 7.01
    tetrachloromethane 1.37
    n-pentyl acetate 9.85
    transcutol 57.93
    n-heptanol 9.16
    ethylbenzene 2.14
    MIBK 14.56
    2-propoxyethanol 36.34
    tert-butanol 34.67
    MTBE 19.98
    2-butoxyethanol 25.97
    propionic acid 24.46
    o-xylene 4.65
    formic acid 69.37
    diethyl ether 12.47
    m-xylene 3.2
    p-xylene 3.87
    chlorobenzene 2.3
    dimethyl carbonate 18.66
    n-octane 1.15
    formamide 101.4
    cyclopentanone 59.79
    2-pentanone 22.99
    anisole 10.11
    cyclopentyl methyl ether 20.22
    gamma-butyrolactone 57.17
    1-methoxy-2-propanol 54.15
    pyridine 18.64
    3-pentanone 19.81
    furfural 65.18
    n-dodecane 0.78
    diethylene glycol 46.75
    diisopropyl ether 4.8
    tert-amyl alcohol 27.32
    acetylacetone 31.62
    n-hexadecane 0.85
    acetophenone 16.93
    methyl propionate 18.17
    isopentyl acetate 10.26
    trichloroethylene 8.49
    n-nonanol 8.07
    cyclohexanol 13.5
    benzyl alcohol 12.87
    2-ethylhexanol 7.41
    isooctanol 7.28
    dipropyl ether 11.14
    1,2-dichlorobenzene 2.87
    ethyl lactate 16.45
    propylene carbonate 25.0
    n-methylformamide 111.78
    2-pentanol 11.29
    n-pentane 1.88
    1-propoxy-2-propanol 27.61
    1-methoxy-2-propyl acetate 19.24
    2-(2-methoxypropoxy) propanol 34.85
    mesitylene 3.31
    ε-caprolactone 29.13
    p-cymene 3.88
    epichlorohydrin 33.98
    1,1,1-trichloroethane 3.69
    2-aminoethanol 42.61
    morpholine-4-carbaldehyde 154.75
    sulfolane 123.8
    2,2,4-trimethylpentane 1.27
    2-methyltetrahydrofuran 31.01
    n-hexyl acetate 10.68
    isooctane 0.82
    2-(2-butoxyethoxy)ethanol 33.54
    sec-butyl acetate 6.89
    tert-butyl acetate 12.95
    decalin 1.07
    glycerin 54.32
    diglyme 64.99
    acrylic acid 30.4
    isopropyl myristate 5.99
    n-butyric acid 19.85
    acetyl acetate 8.99
    di(2-ethylhexyl) phthalate 10.75
    ethyl propionate 9.8
    nitromethane 103.11
    1,2-diethoxyethane 18.06
    benzonitrile 8.66
    trioctyl phosphate 7.87
    1-bromopropane 3.63
    gamma-valerolactone 86.4
    n-decanol 6.65
    triethyl phosphate 9.69
    4-methyl-2-pentanol 7.42
    propionitrile 13.01
    vinylene carbonate 21.09
    1,1,2-trichlorotrifluoroethane 44.03
    DMS 12.04
    cumene 2.65
    2-octanol 6.25
    2-hexanone 16.79
    octyl acetate 8.61
    limonene 6.58
    1,2-dimethoxyethane 83.99
    ethyl orthosilicate 8.73
    tributyl phosphate 8.58
    diacetone alcohol 30.28
    N,N-dimethylaniline 16.51
    acrylonitrile 20.03
    aniline 9.2
    1,3-propanediol 37.52
    bromobenzene 1.47
    dibromomethane 3.21
    1,1,2,2-tetrachloroethane 9.0
    2-methyl-cyclohexyl acetate 11.36
    tetrabutyl urea 18.01
    diisobutyl methanol 6.3
    2-phenylethanol 10.72
    styrene 2.39
    dioctyl adipate 12.02
    dimethyl sulfate 48.37
    ethyl butyrate 11.74
    methyl lactate 29.17
    butyl lactate 15.24
    diethyl carbonate 8.56
    propanediol butyl ether 25.53
    triethyl orthoformate 11.17
    p-tert-butyltoluene 4.2
    methyl 4-tert-butylbenzoate 23.67
    morpholine 54.91
    tert-butylamine 16.82
    n-dodecanol 5.45
    dimethoxymethane 79.84
    ethylene carbonate 16.2
    cyrene 45.5
    2-ethoxyethyl acetate 15.84
    2-ethylhexyl acetate 7.93
    1,2,4-trichlorobenzene 4.46
    4-methylpyridine 19.24
    dibutyl ether 7.17
    2,6-dimethyl-4-heptanol 6.3
    DEF 58.22
    dimethyl isosorbide 45.95
    tetrachloroethylene 6.67
    eugenol 25.0
    triacetin 19.18
    span 80 22.86
    1,4-butanediol 22.82
    1,1-dichloroethane 4.05
    2-methyl-1-pentanol 10.99
    methyl formate 77.96
    2-methyl-1-butanol 15.29
    n-decane 1.16
    butyronitrile 12.76
    3,7-dimethyl-1-octanol 7.69
    1-chlorooctane 3.04
    1-chlorotetradecane 1.67
    n-nonane 1.16
    undecane 0.92
    tert-butylcyclohexane 1.01
    cyclooctane 1.02
    cyclopentanol 23.64
    tetrahydropyran 18.41
    tert-amyl methyl ether 17.05
    2,5,8-trioxanonane 57.13
    1-hexene 3.56
    2-isopropoxyethanol 28.43
    2,2,2-trifluoroethanol 32.78
    methyl butyrate 17.32

    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