Dichloroacetylene

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  • Identifiers

    CAS number
    7572-29-4

    Molecular formula
    C2Cl2

    SMILES
    C(#CCl)Cl

    Safety labels

    Explosive
    Explosive

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Floral 45.36%
    Sweet 39.27%
    Fishy 23.47%
    Pungent 21.46%
    Fresh 18.71%
    Oily 18.62%
    Metallic 17.63%
    Meaty 17.48%
    Fatty 17.11%
    Powdery 16.52%

     

    Flavor
    Bitter 41.21%
    Odorless 27.33%
    Nitrile 19.59%
    Rotten 18.19%
    Formyl 17.45%
    Scallion 17.24%
    Mousy 17.06%
    Decomposing cabbage 16.97%
    Bloody 16.87%
    Glue 16.86%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.3

    pKa est.
    4.17 (weak acid)

    Molecular weight
    94.92 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Melting point expt.

    • -87 to -58 °F (NIOSH, 2024)
    • -66 to -64 °C
    • -66 °C
    • -58 to -87 °F

    Boiling point

    • 90 °F at 760 mmHg (Explodes) (NIOSH, 2024)
    • 33 °C
    • 32 °C (explodes)
    • 90 °F (explodes)
    • 90 °F (Explodes)

    Flash point

    • 16.38 ˚C est.

    Solubility expt.

    • Insoluble in water; soluble in ethanol, diethyl ether and acetone
    • Solubility in water: none

  • Synonyms

    • DICHLOROACETYLENE
    • Dichloroethyne
    • Ethyne, dichloro-
    • 7572-29-4
    • 1,2-dichloroethyne
    • Acetylene, dichloro-
    • CCRIS 5411
    • HSDB 7200
    • C2Cl2
    • UNII-95I833JV4S
    • 1,2-dichloro-ethyne
    • 95I833JV4S
    • ClC.$.CCl
    • DICHLOROACETYLENE [HSDB]
    • DICHLOROACETYLENE [IARC]
    • DTXSID7020429
    • DICHLOROACETYLENE (IARC)
    • 1,2-Dichloroacetylene
    • Dichloroacetylene [Forbidden]
    • DCA, Dichloroethyne
    • 1,2-Dichloroacetylene #
    • Ethyne, dichloro-(9CI)
    • DTXCID50429
    • CHEBI:4503
    • Dichloroacetylene (ACGIH:OSHA)
    • NS00127262
    • Q20963653
    • 620-404-6

  • Applications

    Dichloroacetylene (CAS 7572-29-4) is primarily used as a reactive building block in organic synthesis, serving as a precursor to chlorinated acetylene derivatives and to higher-order polyyne scaffolds. In industrial settings it is commonly evaluated for producing specialty intermediates for polymers and materials science, including halogenated monomers and crosslinking reagents. It may be used as a starting material in electronics or coatings/inks research for the synthesis of organochlorinated alkyne compounds. It is also employed in exploratory laboratory work and in developing pharmaceutical or agrochemical intermediates under strictly controlled conditions. Handling is specialized due to volatility and reactivity, and use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 23.6
    methanol 22.65
    isopropanol 19.12
    water 0.45
    ethyl acetate 57.79
    n-propanol 20.29
    acetone 118.51
    n-butanol 20.82
    acetonitrile 53.39
    DMF 189.91
    toluene 55.64
    isobutanol 16.52
    1,4-dioxane 118.6
    methyl acetate 66.83
    THF 198.71
    2-butanone 72.44
    n-pentanol 20.08
    sec-butanol 19.34
    n-hexane 14.69
    ethylene glycol 13.17
    NMP 248.69
    cyclohexane 43.11
    DMSO 245.52
    n-butyl acetate 85.28
    n-octanol 30.66
    chloroform 155.43
    n-propyl acetate 58.71
    acetic acid 57.29
    dichloromethane 154.73
    cyclohexanone 131.27
    propylene glycol 10.3
    isopropyl acetate 46.88
    DMAc 151.28
    2-ethoxyethanol 41.7
    isopentanol 20.85
    n-heptane 34.17
    ethyl formate 43.55
    1,2-dichloroethane 123.6
    n-hexanol 29.17
    2-methoxyethanol 57.69
    isobutyl acetate 37.14
    tetrachloromethane 53.1
    n-pentyl acetate 63.77
    transcutol 180.94
    n-heptanol 23.16
    ethylbenzene 36.36
    MIBK 47.34
    2-propoxyethanol 53.1
    tert-butanol 29.14
    MTBE 42.35
    2-butoxyethanol 44.31
    propionic acid 28.95
    o-xylene 44.98
    formic acid 19.46
    diethyl ether 53.68
    m-xylene 39.18
    p-xylene 48.84
    chlorobenzene 79.39
    dimethyl carbonate 37.85
    n-octane 15.73
    formamide 44.1
    cyclopentanone 172.86
    2-pentanone 66.91
    anisole 69.62
    cyclopentyl methyl ether 105.24
    gamma-butyrolactone 160.77
    1-methoxy-2-propanol 45.01
    pyridine 133.72
    3-pentanone 62.54
    furfural 165.05
    n-dodecane 11.06
    diethylene glycol 42.47
    diisopropyl ether 27.84
    tert-amyl alcohol 25.59
    acetylacetone 110.58
    n-hexadecane 12.84
    acetophenone 79.49
    methyl propionate 51.95
    isopentyl acetate 70.43
    trichloroethylene 226.55
    n-nonanol 29.18
    cyclohexanol 38.28
    benzyl alcohol 41.16
    2-ethylhexanol 32.45
    isooctanol 22.22
    dipropyl ether 74.69
    1,2-dichlorobenzene 84.73
    ethyl lactate 24.5
    propylene carbonate 84.75
    n-methylformamide 63.79
    2-pentanol 20.16
    n-pentane 15.32
    1-propoxy-2-propanol 55.45
    1-methoxy-2-propyl acetate 78.64
    2-(2-methoxypropoxy) propanol 55.76
    mesitylene 32.94
    ε-caprolactone 104.69
    p-cymene 45.83
    epichlorohydrin 154.58
    1,1,1-trichloroethane 118.42
    2-aminoethanol 15.78
    morpholine-4-carbaldehyde 176.76
    sulfolane 233.57
    2,2,4-trimethylpentane 8.78
    2-methyltetrahydrofuran 122.55
    n-hexyl acetate 72.27
    isooctane 7.9
    2-(2-butoxyethoxy)ethanol 68.85
    sec-butyl acetate 40.94
    tert-butyl acetate 60.87
    decalin 17.95
    glycerin 19.1
    diglyme 174.41
    acrylic acid 34.49
    isopropyl myristate 40.94
    n-butyric acid 36.62
    acetyl acetate 58.49
    di(2-ethylhexyl) phthalate 28.97
    ethyl propionate 46.12
    nitromethane 133.8
    1,2-diethoxyethane 109.02
    benzonitrile 69.86
    trioctyl phosphate 24.47
    1-bromopropane 65.98
    gamma-valerolactone 167.79
    n-decanol 23.82
    triethyl phosphate 38.77
    4-methyl-2-pentanol 16.38
    propionitrile 34.72
    vinylene carbonate 71.01
    1,1,2-trichlorotrifluoroethane 113.98
    DMS 69.65
    cumene 26.52
    2-octanol 22.24
    2-hexanone 64.16
    octyl acetate 44.31
    limonene 68.42
    1,2-dimethoxyethane 117.82
    ethyl orthosilicate 39.23
    tributyl phosphate 31.03
    diacetone alcohol 55.47
    N,N-dimethylaniline 63.7
    acrylonitrile 51.61
    aniline 45.9
    1,3-propanediol 21.69
    bromobenzene 91.7
    dibromomethane 117.03
    1,1,2,2-tetrachloroethane 175.78
    2-methyl-cyclohexyl acetate 58.04
    tetrabutyl urea 54.94
    diisobutyl methanol 33.09
    2-phenylethanol 46.61
    styrene 48.85
    dioctyl adipate 55.64
    dimethyl sulfate 84.79
    ethyl butyrate 71.49
    methyl lactate 30.06
    butyl lactate 40.36
    diethyl carbonate 46.38
    propanediol butyl ether 40.02
    triethyl orthoformate 57.19
    p-tert-butyltoluene 44.34
    methyl 4-tert-butylbenzoate 70.66
    morpholine 108.24
    tert-butylamine 23.15
    n-dodecanol 21.02
    dimethoxymethane 90.91
    ethylene carbonate 55.4
    cyrene 57.84
    2-ethoxyethyl acetate 80.02
    2-ethylhexyl acetate 67.35
    1,2,4-trichlorobenzene 105.9
    4-methylpyridine 108.94
    dibutyl ether 68.45
    2,6-dimethyl-4-heptanol 33.09
    DEF 99.7
    dimethyl isosorbide 131.97
    tetrachloroethylene 144.35
    eugenol 58.74
    triacetin 79.06
    span 80 50.85
    1,4-butanediol 12.74
    1,1-dichloroethane 86.46
    2-methyl-1-pentanol 19.94
    methyl formate 59.03
    2-methyl-1-butanol 18.44
    n-decane 17.31
    butyronitrile 35.88
    3,7-dimethyl-1-octanol 34.07
    1-chlorooctane 40.78
    1-chlorotetradecane 20.88
    n-nonane 18.86
    undecane 13.28
    tert-butylcyclohexane 14.05
    cyclooctane 21.76
    cyclopentanol 45.28
    tetrahydropyran 100.93
    tert-amyl methyl ether 41.75
    2,5,8-trioxanonane 121.0
    1-hexene 27.72
    2-isopropoxyethanol 34.9
    2,2,2-trifluoroethanol 31.34
    methyl butyrate 62.12

    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