Tetrachlorophthalic anhydride

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  • Identifiers

    CAS number
    117-08-8

    Molecular formula
    C8Cl4O3

    SMILES
    C12=C(C(=C(C(=C1Cl)Cl)Cl)Cl)C(=O)OC2=O

    Safety labels

    Corrosive
    Corrosive

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Odorless 58.82%
    Phenolic 25.56%
    Dry 23.81%
    Burnt 22.16%
    Sweet 20.0%
    Musk 19.66%
    Powdery 19.17%
    Fatty 17.46%
    Bitter 16.39%
    Clean 16.02%

     

    Flavor
    Bitter 84.69%
    Odorless 38.64%
    Bland 21.92%
    Sweet-like 20.01%
    Nitrile 19.9%
    Cedarleaf 19.11%
    Very strong 19.11%
    Indole 18.86%
    Rotten 18.69%
    Roasted peanuts 18.58%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.8

    pKa est.
    5.38 (weak acid)

    Molecular weight
    285.9 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • 491 to 494 °F (NTP, 1992)
    • 255-256.5 °C
    • 255 °C

    Boiling point

    • 700 °F at 760 mmHg (sublimes) (NTP, 1992)
    • 371 °C
    • SUBLIMES @ BOILING POINT; DECOMP IN HOT WATER

    Flash point

    • 210.5 ˚C est.
    • 362 °C c.c.

    Solubility expt.

    • less than 1 mg/mL at 70 °F (NTP, 1992)
    • SLIGHTLY SOLUBLE IN ETHER
    • SLIGHTLY SOL IN WATER
    • Solubility in water, g/100ml at 20 °C: 0.4

  • Synonyms

    • TETRACHLOROPHTHALIC ANHYDRIDE
    • 117-08-8
    • Tetrathal
    • Niagathal
    • 1,3-Isobenzofurandione, 4,5,6,7-tetrachloro-
    • 4,5,6,7-Tetrachloro-1,3-isobenzofurandione
    • Phthalic anhydride, tetrachloro-
    • 4,5,6,7-Tetrachloro-2-benzofuran-1,3-dione
    • 1,3-Dioxy-4,5,6,7-tetrachloroisobenzofuran
    • 4,5,6,7-tetrachloroisobenzofuran-1,3-dione
    • 3,4,5,6-tetrachlorophthalic anhydride
    • NCI-C61585
    • NSC 1484
    • CCRIS 6202
    • etrachlorophthalic acid anhydride
    • CHEBI:59097
    • HSDB 2922
    • tetrachlorophthalic acid anhydride
    • UNII-76GLW0LBEK
    • 76GLW0LBEK
    • EINECS 204-171-4
    • CP 626
    • BRN 0211560
    • DTXSID7026102
    • AI3-09048
    • NSC-1484
    • MFCD00005920
    • tetrachloro-1,3-dihydro-2-benzofuran-1,3-dione
    • DTXCID606102
    • EC 204-171-4
    • 5-17-11-00260 (Beilstein Handbook Reference)
    • 1,3-Isobenzofurandione, tetrachloro-
    • TETRACHLOROPHTHALIC ANHYDRIDE [HSDB]
    • 1,3-Dioxo-4,5,6,7-tetrachloroisobenzofuran
    • 4,5,6,7-Tetrachloro-isobenzofuran-1,3-dione
    • CAS-117-08-8
    • Epitope ID:122674
    • SCHEMBL21861
    • tetrachloro-1,2-benzenedicarboxylic acid anhydride
    • Tetrachloro phthalic anhydride
    • Phthalic anhydride, tetrachloro
    • 1, 4,5,6,7-tetrachloro-
    • CHEMBL1567912
    • NSC1484
    • 1,5,6,7-tetrachloroisobenzofuran
    • tetrachloro-phthalic acid anhydride
    • Tetrachlorophthalic anhydride, 96%
    • Tox21_201740
    • Tox21_303212
    • BBL000527
    • STK256922
    • AKOS003239988
    • FT30605
    • NCGC00091300-01
    • NCGC00091300-02
    • NCGC00091300-03
    • NCGC00256940-01
    • NCGC00259289-01
    • 1,3Dioxy4,5,6,7tetrachloroisobenzofuran
    • 4,5,6,7Tetrachloro1,3isobenzofurandione
    • AC-11123
    • VS-00637
    • 1,3Isobenzofurandione, 4,5,6,7tetrachloro
    • NS00009457
    • T0071
    • EN300-211008
    • G77282
    • 4,5,6,7-Tetrachloro-2-benzofuran-1,3-dione #
    • A803707
    • 4,5,6,7-tetrakis(chloranyl)-2-benzofuran-1,3-dione
    • Q21045245
    • 204-171-4

  • Applications

    Tetrachlorophthalic anhydride (CAS 117-08-8) is primarily used as a reactive intermediate in the synthesis of specialty polymers and high‑temperature resins. It serves as a building block for chlorinated aromatic resins and coating/adhesive systems where its anhydride functionality enables polycondensation and crosslinking (notably in epoxy and alkyd resin formulations). The compound is also used as a precursor in the manufacture of flame‑retardant materials and in chlorinated dye/pigment chemistry. Additionally, it may be evaluated for other niche uses in specialty polymers and coatings, subject to formulation requirements and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 13.77
    methanol 14.41
    isopropanol 9.87
    water 0.14
    ethyl acetate 85.27
    n-propanol 13.69
    acetone 93.77
    n-butanol 11.97
    acetonitrile 61.7
    DMF 226.08
    toluene 76.81
    isobutanol 10.88
    1,4-dioxane 116.11
    methyl acetate 88.48
    THF 220.12
    2-butanone 90.85
    n-pentanol 13.03
    sec-butanol 15.44
    n-hexane 5.76
    ethylene glycol 9.86
    NMP 282.18
    cyclohexane 10.37
    DMSO 158.33
    n-butyl acetate 63.07
    n-octanol 23.04
    chloroform 85.45
    n-propyl acetate 49.44
    acetic acid 18.9
    dichloromethane 105.7
    cyclohexanone 109.63
    propylene glycol 6.84
    isopropyl acetate 66.35
    DMAc 236.81
    2-ethoxyethanol 44.13
    isopentanol 12.99
    n-heptane 10.45
    ethyl formate 41.19
    1,2-dichloroethane 77.9
    n-hexanol 22.08
    2-methoxyethanol 70.53
    isobutyl acetate 28.83
    tetrachloromethane 18.33
    n-pentyl acetate 50.42
    transcutol 110.66
    n-heptanol 16.71
    ethylbenzene 51.97
    MIBK 57.16
    2-propoxyethanol 70.74
    tert-butanol 16.76
    MTBE 43.31
    2-butoxyethanol 37.87
    propionic acid 20.99
    o-xylene 64.26
    formic acid 12.48
    diethyl ether 63.78
    m-xylene 59.64
    p-xylene 55.91
    chlorobenzene 51.11
    dimethyl carbonate 88.3
    n-octane 7.66
    formamide 43.44
    cyclopentanone 156.82
    2-pentanone 78.58
    anisole 97.02
    cyclopentyl methyl ether 119.84
    gamma-butyrolactone 160.13
    1-methoxy-2-propanol 60.74
    pyridine 123.76
    3-pentanone 93.25
    furfural 152.8
    n-dodecane 7.67
    diethylene glycol 51.86
    diisopropyl ether 34.64
    tert-amyl alcohol 20.86
    acetylacetone 146.82
    n-hexadecane 9.05
    acetophenone 96.46
    methyl propionate 101.09
    isopentyl acetate 52.15
    trichloroethylene 139.65
    n-nonanol 24.23
    cyclohexanol 27.42
    benzyl alcohol 43.06
    2-ethylhexanol 24.04
    isooctanol 15.75
    dipropyl ether 51.85
    1,2-dichlorobenzene 58.93
    ethyl lactate 33.48
    propylene carbonate 77.44
    n-methylformamide 76.51
    2-pentanol 15.31
    n-pentane 5.1
    1-propoxy-2-propanol 55.22
    1-methoxy-2-propyl acetate 102.0
    2-(2-methoxypropoxy) propanol 68.18
    mesitylene 42.74
    ε-caprolactone 95.97
    p-cymene 39.74
    epichlorohydrin 159.62
    1,1,1-trichloroethane 58.59
    2-aminoethanol 12.38
    morpholine-4-carbaldehyde 215.39
    sulfolane 180.8
    2,2,4-trimethylpentane 4.83
    2-methyltetrahydrofuran 117.75
    n-hexyl acetate 63.2
    isooctane 3.35
    2-(2-butoxyethoxy)ethanol 62.01
    sec-butyl acetate 46.03
    tert-butyl acetate 81.59
    decalin 10.62
    glycerin 16.32
    diglyme 123.95
    acrylic acid 24.71
    isopropyl myristate 40.46
    n-butyric acid 23.3
    acetyl acetate 70.27
    di(2-ethylhexyl) phthalate 32.14
    ethyl propionate 68.85
    nitromethane 104.43
    1,2-diethoxyethane 81.06
    benzonitrile 65.64
    trioctyl phosphate 24.56
    1-bromopropane 46.49
    gamma-valerolactone 177.58
    n-decanol 20.83
    triethyl phosphate 40.79
    4-methyl-2-pentanol 13.25
    propionitrile 41.67
    vinylene carbonate 72.53
    1,1,2-trichlorotrifluoroethane 94.76
    DMS 91.92
    cumene 31.96
    2-octanol 18.15
    2-hexanone 55.82
    octyl acetate 43.32
    limonene 49.19
    1,2-dimethoxyethane 118.98
    ethyl orthosilicate 36.0
    tributyl phosphate 30.61
    diacetone alcohol 67.46
    N,N-dimethylaniline 85.78
    acrylonitrile 69.37
    aniline 55.04
    1,3-propanediol 16.07
    bromobenzene 63.11
    dibromomethane 66.2
    1,1,2,2-tetrachloroethane 100.11
    2-methyl-cyclohexyl acetate 53.34
    tetrabutyl urea 51.67
    diisobutyl methanol 20.75
    2-phenylethanol 51.84
    styrene 57.08
    dioctyl adipate 46.47
    dimethyl sulfate 142.25
    ethyl butyrate 61.36
    methyl lactate 54.96
    butyl lactate 37.56
    diethyl carbonate 44.24
    propanediol butyl ether 31.37
    triethyl orthoformate 46.13
    p-tert-butyltoluene 39.58
    methyl 4-tert-butylbenzoate 72.26
    morpholine 109.26
    tert-butylamine 11.91
    n-dodecanol 18.39
    dimethoxymethane 179.45
    ethylene carbonate 57.87
    cyrene 71.39
    2-ethoxyethyl acetate 78.35
    2-ethylhexyl acetate 52.68
    1,2,4-trichlorobenzene 70.51
    4-methylpyridine 114.62
    dibutyl ether 41.57
    2,6-dimethyl-4-heptanol 20.75
    DEF 142.83
    dimethyl isosorbide 151.28
    tetrachloroethylene 76.91
    eugenol 72.62
    triacetin 72.89
    span 80 46.31
    1,4-butanediol 8.59
    1,1-dichloroethane 49.04
    2-methyl-1-pentanol 14.27
    methyl formate 73.15
    2-methyl-1-butanol 14.5
    n-decane 10.87
    butyronitrile 33.04
    3,7-dimethyl-1-octanol 25.53
    1-chlorooctane 26.38
    1-chlorotetradecane 16.62
    n-nonane 9.89
    undecane 8.99
    tert-butylcyclohexane 7.98
    cyclooctane 8.21
    cyclopentanol 32.68
    tetrahydropyran 77.56
    tert-amyl methyl ether 56.75
    2,5,8-trioxanonane 104.85
    1-hexene 16.82
    2-isopropoxyethanol 36.52
    2,2,2-trifluoroethanol 17.94
    methyl butyrate 66.01

    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