Chloroacetamide

Overview IFRA Request a quote

  • Identifiers

    CAS number
    79-07-2

    Molecular formula
    C2H4ClNO

    SMILES
    C(C(=O)N)Cl

    Safety labels

    Acute Toxic
    Acute Toxic

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Odorless 55.61%
    Fishy 33.37%
    Sweet 32.63%
    Savory 26.91%
    Meaty 24.28%
    Cheesy 18.93%
    Popcorn 18.67%
    Pungent 17.7%
    Cooked 17.7%
    Buttery 17.08%

     

    Flavor
    Odorless 48.8%
    Sulfury 25.08%
    Roasted 24.53%
    Cooked 23.7%
    Mild 22.91%
    Mousy 21.22%
    Sulfurous 21.19%
    Bland 19.94%
    Yeast 19.64%
    Taco 19.43%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -0.5

    pKa est.
    5.66 (weak acid)

    Molecular weight
    93.51 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Melting point expt.

    • 119-120 °C
    • 120 °C

    Boiling point

    • Approximately 225 °C (decomposes)

    Flash point

    • 109.69 ˚C est.
    • 170 °C

    Solubility expt.

    • In water, 90,000 mg/L at 25 °C
    • Solubility in water: 98 g/mL at 20 °C
    • Soluble in alcohol; insoluble in ether
    • Solubility in water, g/100ml at 20 °C: 98

  • Synonyms

    • 2-Chloroacetamide
    • Chloroacetamide
    • 79-07-2
    • Acetamide, 2-chloro-
    • CHLORACETAMIDE
    • Microcide
    • 2-Chloroethanamide
    • Mergal AF
    • Chloracetamid
    • 2-Chloracetamide
    • 2-Chloro-acetamide
    • alpha-Chloroacetamide
    • USAF DO-29
    • .alpha.-Chloroacetamide
    • HSDB 7449
    • Chloroacetamide-d4
    • EINECS 201-174-2
    • MFCD00008027
    • NSC 54286
    • BRN 0878191
    • DTXSID9041570
    • UNII-2R97846T1L
    • .alpha.-Chloracetamide
    • AI3-60133
    • NSC-54286
    • 2R97846T1L
    • Acetamide, .alpha.-chloro-
    • CHLOROACETAMIDE [MI]
    • CHLOROACETAMIDE [HSDB]
    • CHEMBL346368
    • CHLOROACETAMIDE [MART.]
    • ACETIC ACID,CHLORO,AMIDE
    • DTXCID7021570
    • EC 201-174-2
    • 4-02-00-00490 (Beilstein Handbook Reference)
    • WLN: ZV1G
    • alpha-Chloracetamide
    • CHLOROACETAMIDE (MART.)
    • Chloracetamid [German]
    • 2Chloracetamide
    • 2chloroacetamide
    • a-chloroacetamide
    • 2Chloroethanamide
    • Mergal-AF
    • monochloroacetamide
    • 2--Chloroacetamide
    • ClCH2CONH2
    • Acetamide, alpha-chloro-
    • 2-chloroacetic acid amide
    • 2-Chloroacetamide, >=98%
    • CHLOROACETAMIDE [INCI]
    • NSC8408
    • NSC-8408
    • NSC54286
    • STR00268
    • Tox21_304037
    • BDBM50226182
    • STK298897
    • AKOS000104694
    • CS-W011345
    • FC00930
    • HY-W010629
    • CAS-79-07-2
    • 2-Chloroacetamide, >=98.0% (HPLC)
    • NCGC00357244-01
    • PD194639
    • DB-230097
    • C2536
    • NS00007551
    • EN300-18249
    • Q209345
    • F2190-0195

  • Applications

    Chloroacetamide (CAS 79-07-2) is primarily used as a chemical intermediate to introduce the chloroacetyl functionality in organic synthesis. It serves as a precursor for specialty chemicals in pharmaceutical and agrochemical development and is used in polymer and coating chemistries as a reactive building block for functional linkers and crosslinking. In research settings, it can act as an alkylating reagent to modify thiols/cysteines in proteomics workflows, and it is encountered as a reactive starting material for derivatization in analytical chemistry. Its use is primarily as a process intermediate, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 70.1
    methanol 176.75
    isopropanol 39.63
    water 575.94
    ethyl acetate 12.85
    n-propanol 38.11
    acetone 105.65
    n-butanol 20.96
    acetonitrile 52.03
    DMF 610.48
    toluene 1.92
    isobutanol 23.85
    1,4-dioxane 44.31
    methyl acetate 28.55
    THF 51.23
    2-butanone 35.0
    n-pentanol 15.54
    sec-butanol 21.66
    n-hexane 1.22
    ethylene glycol 115.81
    NMP 273.5
    cyclohexane 1.16
    DMSO 317.8
    n-butyl acetate 9.45
    n-octanol 7.55
    chloroform 3.7
    n-propyl acetate 11.65
    acetic acid 110.52
    dichloromethane 4.92
    cyclohexanone 30.69
    propylene glycol 78.53
    isopropyl acetate 7.84
    DMAc 420.54
    2-ethoxyethanol 66.0
    isopentanol 14.3
    n-heptane 1.51
    ethyl formate 27.84
    1,2-dichloroethane 5.72
    n-hexanol 10.45
    2-methoxyethanol 130.05
    isobutyl acetate 7.01
    tetrachloromethane 1.57
    n-pentyl acetate 7.73
    transcutol 74.92
    n-heptanol 8.17
    ethylbenzene 1.44
    MIBK 9.91
    2-propoxyethanol 44.48
    tert-butanol 34.83
    MTBE 12.91
    2-butoxyethanol 27.68
    propionic acid 48.25
    o-xylene 3.25
    formic acid 205.8
    diethyl ether 10.34
    m-xylene 2.33
    p-xylene 2.67
    chlorobenzene 2.1
    dimethyl carbonate 23.12
    n-octane 0.58
    formamide 213.65
    cyclopentanone 49.59
    2-pentanone 18.33
    anisole 8.81
    cyclopentyl methyl ether 14.76
    gamma-butyrolactone 53.64
    1-methoxy-2-propanol 71.07
    pyridine 19.66
    3-pentanone 16.15
    furfural 68.9
    n-dodecane 0.48
    diethylene glycol 73.47
    diisopropyl ether 2.94
    tert-amyl alcohol 22.63
    acetylacetone 26.86
    n-hexadecane 0.51
    acetophenone 13.83
    methyl propionate 21.3
    isopentyl acetate 7.48
    trichloroethylene 7.57
    n-nonanol 6.9
    cyclohexanol 12.59
    benzyl alcohol 13.99
    2-ethylhexanol 5.76
    isooctanol 5.9
    dipropyl ether 8.67
    1,2-dichlorobenzene 2.55
    ethyl lactate 18.91
    propylene carbonate 24.9
    n-methylformamide 200.88
    2-pentanol 10.14
    n-pentane 1.24
    1-propoxy-2-propanol 28.08
    1-methoxy-2-propyl acetate 15.23
    2-(2-methoxypropoxy) propanol 31.01
    mesitylene 2.1
    ε-caprolactone 25.59
    p-cymene 2.58
    epichlorohydrin 29.36
    1,1,1-trichloroethane 3.33
    2-aminoethanol 106.08
    morpholine-4-carbaldehyde 182.03
    sulfolane 94.89
    2,2,4-trimethylpentane 0.75
    2-methyltetrahydrofuran 21.14
    n-hexyl acetate 9.24
    isooctane 0.51
    2-(2-butoxyethoxy)ethanol 34.19
    sec-butyl acetate 5.83
    tert-butyl acetate 8.65
    decalin 0.71
    glycerin 139.03
    diglyme 65.19
    acrylic acid 68.85
    isopropyl myristate 4.26
    n-butyric acid 27.86
    acetyl acetate 10.38
    di(2-ethylhexyl) phthalate 8.9
    ethyl propionate 10.4
    nitromethane 170.05
    1,2-diethoxyethane 14.31
    benzonitrile 10.17
    trioctyl phosphate 6.22
    1-bromopropane 2.5
    gamma-valerolactone 88.03
    n-decanol 5.32
    triethyl phosphate 7.69
    4-methyl-2-pentanol 5.83
    propionitrile 20.96
    vinylene carbonate 24.95
    1,1,2-trichlorotrifluoroethane 58.1
    DMS 13.63
    cumene 1.81
    2-octanol 4.73
    2-hexanone 14.26
    octyl acetate 6.72
    limonene 3.91
    1,2-dimethoxyethane 87.85
    ethyl orthosilicate 6.91
    tributyl phosphate 7.06
    diacetone alcohol 22.64
    N,N-dimethylaniline 11.79
    acrylonitrile 34.99
    aniline 9.71
    1,3-propanediol 69.1
    bromobenzene 1.18
    dibromomethane 2.75
    1,1,2,2-tetrachloroethane 7.59
    2-methyl-cyclohexyl acetate 8.24
    tetrabutyl urea 14.58
    diisobutyl methanol 4.09
    2-phenylethanol 10.17
    styrene 1.74
    dioctyl adipate 9.5
    dimethyl sulfate 49.88
    ethyl butyrate 9.13
    methyl lactate 40.01
    butyl lactate 14.65
    diethyl carbonate 7.4
    propanediol butyl ether 33.88
    triethyl orthoformate 8.71
    p-tert-butyltoluene 2.6
    methyl 4-tert-butylbenzoate 17.56
    morpholine 60.87
    tert-butylamine 15.49
    n-dodecanol 4.2
    dimethoxymethane 91.91
    ethylene carbonate 19.8
    cyrene 41.36
    2-ethoxyethyl acetate 12.96
    2-ethylhexyl acetate 5.99
    1,2,4-trichlorobenzene 3.76
    4-methylpyridine 18.62
    dibutyl ether 5.0
    2,6-dimethyl-4-heptanol 4.09
    DEF 52.69
    dimethyl isosorbide 36.62
    tetrachloroethylene 6.26
    eugenol 22.79
    triacetin 17.51
    span 80 23.38
    1,4-butanediol 40.43
    1,1-dichloroethane 3.85
    2-methyl-1-pentanol 10.34
    methyl formate 124.55
    2-methyl-1-butanol 15.44
    n-decane 0.7
    butyronitrile 15.11
    3,7-dimethyl-1-octanol 6.37
    1-chlorooctane 1.95
    1-chlorotetradecane 1.08
    n-nonane 0.67
    undecane 0.56
    tert-butylcyclohexane 0.75
    cyclooctane 0.55
    cyclopentanol 23.46
    tetrahydropyran 16.2
    tert-amyl methyl ether 10.63
    2,5,8-trioxanonane 53.53
    1-hexene 2.75
    2-isopropoxyethanol 33.36
    2,2,2-trifluoroethanol 72.7
    methyl butyrate 16.42

    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