4-Chlorophthalic anhydride

Overview IFRA Request a quote

  • Identifiers

    CAS number
    118-45-6

    Molecular formula
    C8H3ClO3

    SMILES
    C1=CC2=C(C=C1Cl)C(=O)OC2=O

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 45.19%
    Sweet 43.96%
    Phenolic 41.07%
    Coumarinic 34.39%
    Coconut 31.1%
    Nutty 29.87%
    Bitter 28.91%
    Powdery 26.75%
    Hay 26.07%
    Burnt 25.65%

     

    Flavor
    Bitter 79.23%
    Odorless 30.38%
    Nitrile 20.22%
    Lovage 20.07%
    Fenugreek 19.4%
    Very strong 19.25%
    Cedarleaf 19.18%
    Indole 19.11%
    Urine 19.03%
    Seedy 18.99%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.9

    pKa est.
    7.15 (neutral)

    Molecular weight
    182.56 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    292°C

    Flash point

    • 179.05 ˚C est.

  • Synonyms

    • 4-Chlorophthalic anhydride
    • 118-45-6
    • 5-chloroisobenzofuran-1,3-dione
    • 5-Chloro-2-benzofuran-1,3-dione
    • 4-chlorophthalic acid anhydride
    • 1,3-Isobenzofurandione, 5-chloro-
    • 5-chlorophthalic anhydride
    • EINECS 204-251-9
    • UNII-BPI93D0O61
    • BPI93D0O61
    • P-CHLOROPHTHALIC ANHYDRIDE
    • DTXSID30151993
    • EC 204-251-9
    • PHTHALIC ANHYDRIDE, 4-CHLORO-
    • RefChem:98612
    • DTXCID9074484
    • 204-251-9
    • BTTRMCQEPDPCPA-UHFFFAOYSA-N
    • InChI=1/C8H3ClO3/c9-4-1-2-5-6(3-4)8(11)12-7(5)10/h1-3
    • MFCD00152354
    • 5-chloro-1,3-dihydro-2-benzofuran-1,3-dione
    • 5-chloro-isobenzofuran-1,3-dione
    • 4-Chlorophthalicanhydride
    • 4-chloro phthalic anhydride
    • SCHEMBL79617
    • AAA11845
    • BB_SC-06607
    • BBL028284
    • STL373477
    • 5-Chloro-2-benzofuran-1,3-dione #
    • AKOS005255169
    • CS-W019466
    • FS-2545
    • BP-10007
    • SY002025
    • DB-006783
    • C1328
    • NS00002927
    • EN300-97396
    • 118C456
    • F121400
    • Q4637112
    • 4-Chlorophthalic acid anhydride 100 microg/mL in Acetonitrile
    • 118-45-6

  • Applications

    4-Chlorophthalic anhydride is primarily used as an organic intermediate in the synthesis of specialty polymers and coatings. It acts as a building block for aromatic imide-forming routes to high-temperature polymers (e.g., polyimides) and for alkyd and unsaturated polyester resin formulations used in coatings and adhesives. It also serves as a precursor in the synthesis of dyes and pigment intermediates, where the para-chloro group enables further functionalization. Additionally, it can be employed as a building block for agrochemical or pharmaceutical intermediates and for UV-curable or other specialty resin systems, with use governed by local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 328.95
    methanol 628.46
    isopropanol 173.31
    water 1.05
    ethyl acetate 529.42
    n-propanol 235.55
    acetone 887.89
    n-butanol 184.7
    acetonitrile 653.43
    DMF 1779.08
    toluene 97.83
    isobutanol 124.44
    1,4-dioxane 404.42
    methyl acetate 597.5
    THF 870.61
    2-butanone 593.38
    n-pentanol 162.64
    sec-butanol 199.47
    n-hexane 3.41
    ethylene glycol 124.42
    NMP 592.28
    cyclohexane 2.03
    DMSO 935.59
    n-butyl acetate 157.56
    n-octanol 145.91
    chloroform 141.8
    n-propyl acetate 268.12
    acetic acid 147.32
    dichloromethane 201.0
    cyclohexanone 280.23
    propylene glycol 84.1
    isopropyl acetate 261.47
    DMAc 903.43
    2-ethoxyethanol 618.5
    isopentanol 152.25
    n-heptane 6.23
    ethyl formate 295.67
    1,2-dichloroethane 229.71
    n-hexanol 133.21
    2-methoxyethanol 1136.56
    isobutyl acetate 95.76
    tetrachloromethane 23.04
    n-pentyl acetate 152.19
    transcutol 1602.16
    n-heptanol 92.76
    ethylbenzene 76.61
    MIBK 249.71
    2-propoxyethanol 458.48
    tert-butanol 237.7
    MTBE 199.37
    2-butoxyethanol 248.2
    propionic acid 137.86
    o-xylene 75.8
    formic acid 142.6
    diethyl ether 345.54
    m-xylene 80.27
    p-xylene 80.19
    chlorobenzene 90.26
    dimethyl carbonate 336.11
    n-octane 5.87
    formamide 623.61
    cyclopentanone 490.9
    2-pentanone 508.9
    anisole 332.16
    cyclopentyl methyl ether 288.98
    gamma-butyrolactone 501.37
    1-methoxy-2-propanol 708.8
    pyridine 326.98
    3-pentanone 327.71
    furfural 443.09
    n-dodecane 10.8
    diethylene glycol 441.43
    diisopropyl ether 83.2
    tert-amyl alcohol 216.02
    acetylacetone 594.52
    n-hexadecane 12.41
    acetophenone 261.95
    methyl propionate 507.74
    isopentyl acetate 119.61
    trichloroethylene 369.68
    n-nonanol 135.0
    cyclohexanol 101.85
    benzyl alcohol 195.44
    2-ethylhexanol 78.62
    isooctanol 70.19
    dipropyl ether 120.48
    1,2-dichlorobenzene 96.76
    ethyl lactate 158.07
    propylene carbonate 202.99
    n-methylformamide 933.51
    2-pentanol 162.32
    n-pentane 3.69
    1-propoxy-2-propanol 270.36
    1-methoxy-2-propyl acetate 251.11
    2-(2-methoxypropoxy) propanol 318.62
    mesitylene 48.25
    ε-caprolactone 258.17
    p-cymene 47.01
    epichlorohydrin 677.18
    1,1,1-trichloroethane 140.67
    2-aminoethanol 186.33
    morpholine-4-carbaldehyde 735.54
    sulfolane 426.41
    2,2,4-trimethylpentane 4.57
    2-methyltetrahydrofuran 382.21
    n-hexyl acetate 242.51
    isooctane 4.33
    2-(2-butoxyethoxy)ethanol 487.99
    sec-butyl acetate 158.28
    tert-butyl acetate 242.13
    decalin 6.56
    glycerin 160.7
    diglyme 793.32
    acrylic acid 137.08
    isopropyl myristate 113.37
    n-butyric acid 154.01
    acetyl acetate 218.63
    di(2-ethylhexyl) phthalate 74.6
    ethyl propionate 302.41
    nitromethane 993.77
    1,2-diethoxyethane 412.64
    benzonitrile 194.42
    trioctyl phosphate 67.37
    1-bromopropane 101.2
    gamma-valerolactone 543.03
    n-decanol 108.39
    triethyl phosphate 72.92
    4-methyl-2-pentanol 97.49
    propionitrile 339.31
    vinylene carbonate 193.98
    1,1,2-trichlorotrifluoroethane 311.43
    DMS 253.81
    cumene 48.61
    2-octanol 92.4
    2-hexanone 283.87
    octyl acetate 141.64
    limonene 54.86
    1,2-dimethoxyethane 839.61
    ethyl orthosilicate 62.84
    tributyl phosphate 81.06
    diacetone alcohol 359.85
    N,N-dimethylaniline 201.25
    acrylonitrile 527.23
    aniline 147.95
    1,3-propanediol 278.32
    bromobenzene 81.72
    dibromomethane 105.86
    1,1,2,2-tetrachloroethane 246.59
    2-methyl-cyclohexyl acetate 91.02
    tetrabutyl urea 134.74
    diisobutyl methanol 57.57
    2-phenylethanol 171.0
    styrene 98.5
    dioctyl adipate 125.7
    dimethyl sulfate 415.08
    ethyl butyrate 138.06
    methyl lactate 279.67
    butyl lactate 135.18
    diethyl carbonate 93.7
    propanediol butyl ether 287.24
    triethyl orthoformate 92.49
    p-tert-butyltoluene 47.27
    methyl 4-tert-butylbenzoate 178.65
    morpholine 523.21
    tert-butylamine 92.64
    n-dodecanol 83.2
    dimethoxymethane 1217.95
    ethylene carbonate 151.17
    cyrene 211.43
    2-ethoxyethyl acetate 281.52
    2-ethylhexyl acetate 92.5
    1,2,4-trichlorobenzene 115.85
    4-methylpyridine 340.58
    dibutyl ether 150.84
    2,6-dimethyl-4-heptanol 57.57
    DEF 549.15
    dimethyl isosorbide 396.02
    tetrachloroethylene 150.5
    eugenol 237.17
    triacetin 222.9
    span 80 176.24
    1,4-butanediol 118.9
    1,1-dichloroethane 172.23
    2-methyl-1-pentanol 131.89
    methyl formate 771.3
    2-methyl-1-butanol 139.28
    n-decane 14.84
    butyronitrile 264.92
    3,7-dimethyl-1-octanol 122.03
    1-chlorooctane 69.54
    1-chlorotetradecane 34.02
    n-nonane 11.75
    undecane 12.76
    tert-butylcyclohexane 6.92
    cyclooctane 2.02
    cyclopentanol 137.42
    tetrahydropyran 236.48
    tert-amyl methyl ether 198.24
    2,5,8-trioxanonane 549.59
    1-hexene 33.04
    2-isopropoxyethanol 359.49
    2,2,2-trifluoroethanol 104.34
    methyl butyrate 312.87

    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