Isophthaloyl chloride

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  • Identifiers

    CAS number
    99-63-8

    Molecular formula
    C8H4Cl2O2

    SMILES
    C1=CC(=CC(=C1)C(=O)Cl)C(=O)Cl

    Safety labels

    Corrosive
    Corrosive

    Acute Toxic
    Acute Toxic

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 41.77%
    Sweet 41.4%
    Balsamic 40.71%
    Nutty 31.39%
    Burnt 30.94%
    Powdery 30.18%
    Phenolic 29.34%
    Honey 28.76%
    Vanilla 28.53%
    Bitter 28.32%

     

    Flavor
    Odorless 47.55%
    Bitter 35.62%
    Nutty 31.43%
    Mild 29.33%
    Faint 24.24%
    Phenolic 23.46%
    Very mild 22.68%
    Urine 22.15%
    Nitrile 21.39%
    Bread crust 21.37%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.6

    pKa est.
    6.5 (neutral)

    Molecular weight
    203.02 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Melting point expt.

    • 43-44 °C

    Boiling point

    • 276 °C

    Flash point

    • 124.15 ˚C est.
    • 356 °F OC

    Solubility expt.

    • SOL IN ETHER & OTHER ORG SOLVENTS
    • SLIGHTLY SOL IN WATER & ALCOHOL

  • Synonyms

    • Isophthaloyl chloride
    • Isophthaloyl dichloride
    • 99-63-8
    • 1,3-Benzenedicarbonyl dichloride
    • m-Phthaloyl chloride
    • Isophthalic acid chloride
    • m-Phthalic dichloride
    • 1,3-BENZENEDICARBONYL CHLORIDE
    • Isophthalic acid dichloride
    • Isophthalic chloride
    • Isophthalyl dichloride
    • Isothaloyl chloride
    • Isophthalyl chloride
    • m-Benzenedicarbonyl chloride
    • Dichlorid kyseliny isoftalove
    • meta-Phthalyl dichloride
    • m-Phthaloyl dichloride
    • 6A3LDJ6CL3
    • 1,3-Benzenedicarboxylic acid, dichloride
    • DTXSID3026641
    • NSC-41884
    • DTXCID406641
    • RefChem:149742
    • 1,3-phthaloyl dichloride
    • 202-774-7
    • benzene-1,3-dicarbonyl chloride
    • benzene-1,3-dicarbonyl dichloride
    • m-Phthalyl dichloride
    • NSC 41884
    • 1,3-Bis(chlorocarbonyl)benzene
    • MFCD00000678
    • CAS-99-63-8
    • m-Phthalyl chloride
    • HSDB 5326
    • EINECS 202-774-7
    • Dichlorid kyseliny isoftalove [Czech]
    • UNII-6A3LDJ6CL3
    • BRN 0638342
    • isophthaloylchloride
    • isophthalic dichloride
    • 1,3-DI(CHLOROCARBONYL)BENZENE
    • iso-phthaloyl chloride
    • WLN: GVR CVG
    • EC 202-774-7
    • SCHEMBL27510
    • Isophthaloyl chloride, >=99%
    • CHEMBL1885739
    • SCHEMBL28868841
    • M-BENZENEDICARBONYL CHLORID
    • AAA09963
    • NSC41884
    • STR04660
    • Tox21_201596
    • Tox21_303056
    • SBB060537
    • AKOS004904996
    • NCGC00164011-01
    • NCGC00164011-02
    • NCGC00257157-01
    • NCGC00259145-01
    • I0159
    • NS00004098
    • ST51046706
    • 1,3-BENZENEDICARBONYL CHLORIDE [HSDB]
    • EN300-19830
    • F87312
    • Isophthaloyl chloride, purum, >=98.0% (AT)
    • A846057
    • F358242
    • Q27264395
    • 3-(2-morpholinoethylamino)-6-phenyl-pyridazine-4-carbonitrile
    • 99-63-8

  • Applications

    Isophthaloyl chloride is a difunctional diacyl chloride used as a building block to synthesize high-performance polymers including polyesters, polyamides, and polyimides. In polymer manufacturing, IPC is employed as a diacid chloride comonomer to introduce rigid isophthaloyl units, enabling the production of polyester resins for coatings, packaging, and textiles, as well as precursors for polyamides and polyimides used in electronics, aerospace, and automotive applications. It can act as a crosslinking agent or chain extender in resin systems and as a surface-functionalization agent to graft acyl groups onto amine- or hydroxyl-containing substrates, improving adhesion and chemical resistance of coatings and surfaces. IPC derivatives are also considered in the synthesis of polyimide and polyamide-imide resins with high thermal stability suitable for electronic insulators and protective coatings. As with many acid chlorides, its use requires proper handling and regulatory compliance, and it is typically used in specialized industrial formulations and within established processing conditions.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 56.4
    methanol 67.58
    isopropanol 35.61
    water 0.25
    ethyl acetate 187.89
    n-propanol 47.17
    acetone 346.01
    n-butanol 43.27
    acetonitrile 134.15
    DMF 979.26
    toluene 289.29
    isobutanol 35.09
    1,4-dioxane 241.85
    methyl acetate 263.58
    THF 399.94
    2-butanone 278.58
    n-pentanol 52.58
    sec-butanol 51.11
    n-hexane 9.18
    ethylene glycol 38.77
    NMP 690.02
    cyclohexane 9.36
    DMSO 339.01
    n-butyl acetate 168.75
    n-octanol 65.67
    chloroform 312.85
    n-propyl acetate 160.09
    acetic acid 113.54
    dichloromethane 353.03
    cyclohexanone 310.59
    propylene glycol 30.35
    isopropyl acetate 135.22
    DMAc 726.52
    2-ethoxyethanol 138.72
    isopentanol 48.92
    n-heptane 17.84
    ethyl formate 125.46
    1,2-dichloroethane 301.55
    n-hexanol 71.06
    2-methoxyethanol 193.84
    isobutyl acetate 86.72
    tetrachloromethane 48.28
    n-pentyl acetate 138.63
    transcutol 719.34
    n-heptanol 57.65
    ethylbenzene 128.97
    MIBK 141.91
    2-propoxyethanol 167.77
    tert-butanol 63.8
    MTBE 116.63
    2-butoxyethanol 124.71
    propionic acid 87.08
    o-xylene 180.36
    formic acid 67.06
    diethyl ether 121.6
    m-xylene 184.64
    p-xylene 142.04
    chlorobenzene 191.43
    dimethyl carbonate 169.05
    n-octane 9.54
    formamide 193.96
    cyclopentanone 413.76
    2-pentanone 218.52
    anisole 248.49
    cyclopentyl methyl ether 209.24
    gamma-butyrolactone 408.92
    1-methoxy-2-propanol 157.29
    pyridine 415.35
    3-pentanone 209.38
    furfural 473.68
    n-dodecane 9.12
    diethylene glycol 145.22
    diisopropyl ether 56.94
    tert-amyl alcohol 78.9
    acetylacetone 360.79
    n-hexadecane 10.71
    acetophenone 281.51
    methyl propionate 210.83
    isopentyl acetate 136.31
    trichloroethylene 725.15
    n-nonanol 62.33
    cyclohexanol 68.47
    benzyl alcohol 170.6
    2-ethylhexanol 63.85
    isooctanol 49.94
    dipropyl ether 94.37
    1,2-dichlorobenzene 185.03
    ethyl lactate 89.71
    propylene carbonate 199.54
    n-methylformamide 282.18
    2-pentanol 49.38
    n-pentane 9.03
    1-propoxy-2-propanol 132.0
    1-methoxy-2-propyl acetate 192.99
    2-(2-methoxypropoxy) propanol 166.52
    mesitylene 107.7
    ε-caprolactone 254.57
    p-cymene 78.25
    epichlorohydrin 481.26
    1,1,1-trichloroethane 236.64
    2-aminoethanol 48.42
    morpholine-4-carbaldehyde 551.67
    sulfolane 484.62
    2,2,4-trimethylpentane 10.65
    2-methyltetrahydrofuran 254.7
    n-hexyl acetate 168.52
    isooctane 8.65
    2-(2-butoxyethoxy)ethanol 207.16
    sec-butyl acetate 111.61
    tert-butyl acetate 167.96
    decalin 13.67
    glycerin 63.42
    diglyme 398.96
    acrylic acid 123.37
    isopropyl myristate 78.32
    n-butyric acid 85.84
    acetyl acetate 146.76
    di(2-ethylhexyl) phthalate 71.1
    ethyl propionate 149.46
    nitromethane 435.23
    1,2-diethoxyethane 219.13
    benzonitrile 230.96
    trioctyl phosphate 51.55
    1-bromopropane 120.19
    gamma-valerolactone 470.54
    n-decanol 49.09
    triethyl phosphate 73.66
    4-methyl-2-pentanol 42.68
    propionitrile 95.3
    vinylene carbonate 222.98
    1,1,2-trichlorotrifluoroethane 337.58
    DMS 206.46
    cumene 73.0
    2-octanol 50.16
    2-hexanone 170.27
    octyl acetate 94.36
    limonene 98.06
    1,2-dimethoxyethane 297.81
    ethyl orthosilicate 65.61
    tributyl phosphate 64.3
    diacetone alcohol 192.88
    N,N-dimethylaniline 189.52
    acrylonitrile 205.09
    aniline 171.46
    1,3-propanediol 54.88
    bromobenzene 211.87
    dibromomethane 199.54
    1,1,2,2-tetrachloroethane 418.61
    2-methyl-cyclohexyl acetate 107.1
    tetrabutyl urea 105.54
    diisobutyl methanol 48.49
    2-phenylethanol 153.26
    styrene 173.4
    dioctyl adipate 110.29
    dimethyl sulfate 329.07
    ethyl butyrate 131.05
    methyl lactate 126.34
    butyl lactate 107.68
    diethyl carbonate 88.22
    propanediol butyl ether 132.28
    triethyl orthoformate 89.9
    p-tert-butyltoluene 78.73
    methyl 4-tert-butylbenzoate 181.15
    morpholine 242.46
    tert-butylamine 41.32
    n-dodecanol 39.14
    dimethoxymethane 366.24
    ethylene carbonate 139.62
    cyrene 184.39
    2-ethoxyethyl acetate 221.11
    2-ethylhexyl acetate 119.25
    1,2,4-trichlorobenzene 233.04
    4-methylpyridine 438.9
    dibutyl ether 87.78
    2,6-dimethyl-4-heptanol 48.49
    DEF 340.67
    dimethyl isosorbide 302.25
    tetrachloroethylene 327.23
    eugenol 189.16
    triacetin 205.14
    span 80 131.8
    1,4-butanediol 35.57
    1,1-dichloroethane 211.31
    2-methyl-1-pentanol 59.36
    methyl formate 285.85
    2-methyl-1-butanol 48.33
    n-decane 14.17
    butyronitrile 85.59
    3,7-dimethyl-1-octanol 66.51
    1-chlorooctane 54.67
    1-chlorotetradecane 25.56
    n-nonane 12.68
    undecane 11.17
    tert-butylcyclohexane 14.42
    cyclooctane 6.72
    cyclopentanol 80.95
    tetrahydropyran 162.19
    tert-amyl methyl ether 129.39
    2,5,8-trioxanonane 291.27
    1-hexene 47.11
    2-isopropoxyethanol 113.58
    2,2,2-trifluoroethanol 77.0
    methyl butyrate 178.24

    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