Trimesoyl chloride

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  • Identifiers

    CAS number
    4422-95-1

    Molecular formula
    C9H3Cl3O3

    SMILES
    C1=C(C=C(C=C1C(=O)Cl)C(=O)Cl)C(=O)Cl

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 46.78%
    Sweet 39.19%
    Balsamic 32.01%
    Burnt 28.58%
    Nutty 27.48%
    Powdery 26.37%
    Creamy 25.18%
    Bitter 24.16%
    Caramellic 24.13%
    Vanilla 23.44%

     

    Flavor
    Odorless 50.03%
    Bitter 43.39%
    Nutty 26.8%
    Mild 26.16%
    Very mild 24.25%
    Nitrile 20.8%
    Bread crust 20.67%
    Urine 20.35%
    Yeast 20.05%
    Faint 19.96%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.5

    pKa est.
    6.06 (neutral)

    Molecular weight
    265.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    318°C

    Flash point

    • 154.57 ˚C est.

  • Synonyms

    • 1,3,5-Benzenetricarbonyl trichloride
    • 4422-95-1
    • Trimesoyl chloride
    • 1,3,5-Benzenetricarboxylic acid chloride
    • 1,3,5-Benzenetricarbonyl chloride
    • Trimesic acid trichloride
    • 1,3,5-Benzenetricarboxylic chloride
    • DTXSID7044429
    • 5866PEO79W
    • NSC-82328
    • 1,3,5-Benzene-tricarbonyl trichloride
    • DTXCID5024429
    • RefChem:899719
    • 224-594-8
    • trimesoylchloride
    • Benzene-1,3,5-tricarbonyl chloride
    • benzene-1,3,5-tricarbonyl trichloride
    • C9H3Cl3O3
    • MFCD00000679
    • 1,3,5-benzenetricarbonyltrichloride
    • 1,5-BENZENETRICARBONYL TRICHLORIDE
    • UNII-5866PEO79W
    • EINECS 224-594-8
    • trimesoyl trichloride
    • NSC 82328
    • trimesic acid chloride
    • 1,3,5-benzenetricarboxylic acid trichloride
    • Benzenetricarbonyl chloride
    • SCHEMBL38576
    • 1,5-Benzenetricarbonyl chloride
    • CHEMBL3182363
    • SCHEMBL27928554
    • 1,3,5-Tri(chloroformyl)benzene
    • 1,5-Benzenetricarboxylic chloride
    • 1,3,5-TRIMESOYL CHLORIDE
    • NSC82328
    • 1,3,5 benzene tricarbonyl chloride
    • Tox21_302180
    • AKOS015890459
    • 1,5-Benzenetricarboxylic acid chloride
    • 1,3,5-TRIS(CHLOROFORMYL)BENZENE
    • NCGC00255811-01
    • BP-31192
    • FT165516
    • LS-13570
    • 1,3,5-TRIS(CHLOROCARBONYL)BENZENE
    • CAS-4422-95-1
    • DB-051196
    • 1,3,5-Benzenetricarbonyl trichloride, 98%
    • NS00049299
    • ST51045636
    • T1262
    • D94643
    • W-106207
    • Q27261566
    • 4422-95-1

  • Applications

    Trimesoyl chloride, CAS 4422-95-1, is a trifunctional acid chloride primarily used as a crosslinking agent and reactive intermediate in high-performance polymers and coatings. In industrial manufacturing and coatings/inks, it is employed to form ester or amide linkages by reacting with diols or diamines, enabling crosslinked polyester, polyurethane, and polyamide-imide networks with improved heat resistance and chemical durability. It also serves as a versatile building block for specialty resins and adhesives, providing multi-point functionality to enhance mechanical strength and thermal stability. In electronics and optics applications, it is evaluated for the synthesis of high-functionality polymers and surface-modification chemistries that require rigid, networked structures. Additionally, it is used in research and development as a reactive precursor for polymer networks and advanced materials, subject to formulation constraints and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 8.91
    methanol 11.33
    isopropanol 5.3
    water 0.22
    ethyl acetate 38.0
    n-propanol 7.72
    acetone 63.3
    n-butanol 6.05
    acetonitrile 22.3
    DMF 287.37
    toluene 62.57
    isobutanol 5.64
    1,4-dioxane 58.85
    methyl acetate 50.07
    THF 108.62
    2-butanone 56.39
    n-pentanol 8.18
    sec-butanol 7.75
    n-hexane 3.66
    ethylene glycol 7.82
    NMP 324.42
    cyclohexane 4.17
    DMSO 111.22
    n-butyl acetate 41.07
    n-octanol 12.71
    chloroform 50.93
    n-propyl acetate 32.06
    acetic acid 17.66
    dichloromethane 62.33
    cyclohexanone 76.83
    propylene glycol 5.93
    isopropyl acetate 30.4
    DMAc 283.77
    2-ethoxyethanol 26.68
    isopentanol 6.59
    n-heptane 7.78
    ethyl formate 25.97
    1,2-dichloroethane 49.85
    n-hexanol 13.9
    2-methoxyethanol 36.17
    isobutyl acetate 16.75
    tetrachloromethane 9.29
    n-pentyl acetate 35.06
    transcutol 77.78
    n-heptanol 12.23
    ethylbenzene 33.27
    MIBK 31.31
    2-propoxyethanol 40.57
    tert-butanol 9.31
    MTBE 26.3
    2-butoxyethanol 26.49
    propionic acid 16.65
    o-xylene 53.0
    formic acid 14.93
    diethyl ether 28.43
    m-xylene 47.55
    p-xylene 36.1
    chlorobenzene 40.26
    dimethyl carbonate 53.66
    n-octane 4.3
    formamide 38.54
    cyclopentanone 116.13
    2-pentanone 43.29
    anisole 60.43
    cyclopentyl methyl ether 62.77
    gamma-butyrolactone 128.08
    1-methoxy-2-propanol 31.73
    pyridine 87.88
    3-pentanone 53.8
    furfural 135.08
    n-dodecane 3.23
    diethylene glycol 31.66
    diisopropyl ether 16.0
    tert-amyl alcohol 12.59
    acetylacetone 74.7
    n-hexadecane 3.79
    acetophenone 78.22
    methyl propionate 56.23
    isopentyl acetate 34.65
    trichloroethylene 112.26
    n-nonanol 13.39
    cyclohexanol 13.08
    benzyl alcohol 35.43
    2-ethylhexanol 16.06
    isooctanol 10.95
    dipropyl ether 33.38
    1,2-dichlorobenzene 45.28
    ethyl lactate 23.14
    propylene carbonate 55.19
    n-methylformamide 66.53
    2-pentanol 7.27
    n-pentane 3.17
    1-propoxy-2-propanol 35.95
    1-methoxy-2-propyl acetate 61.24
    2-(2-methoxypropoxy) propanol 42.07
    mesitylene 29.94
    ε-caprolactone 68.11
    p-cymene 30.32
    epichlorohydrin 101.39
    1,1,1-trichloroethane 34.9
    2-aminoethanol 8.59
    morpholine-4-carbaldehyde 192.03
    sulfolane 172.96
    2,2,4-trimethylpentane 3.43
    2-methyltetrahydrofuran 61.59
    n-hexyl acetate 37.04
    isooctane 2.35
    2-(2-butoxyethoxy)ethanol 38.04
    sec-butyl acetate 24.89
    tert-butyl acetate 38.88
    decalin 4.66
    glycerin 13.91
    diglyme 86.62
    acrylic acid 25.05
    isopropyl myristate 22.3
    n-butyric acid 14.49
    acetyl acetate 28.69
    di(2-ethylhexyl) phthalate 22.33
    ethyl propionate 37.68
    nitromethane 72.68
    1,2-diethoxyethane 47.45
    benzonitrile 45.43
    trioctyl phosphate 15.5
    1-bromopropane 25.15
    gamma-valerolactone 138.96
    n-decanol 11.24
    triethyl phosphate 26.97
    4-methyl-2-pentanol 7.12
    propionitrile 19.27
    vinylene carbonate 57.71
    1,1,2-trichlorotrifluoroethane 76.16
    DMS 60.44
    cumene 21.38
    2-octanol 10.66
    2-hexanone 36.43
    octyl acetate 25.78
    limonene 35.94
    1,2-dimethoxyethane 66.03
    ethyl orthosilicate 24.95
    tributyl phosphate 19.14
    diacetone alcohol 39.27
    N,N-dimethylaniline 59.46
    acrylonitrile 38.1
    aniline 39.56
    1,3-propanediol 8.64
    bromobenzene 43.29
    dibromomethane 38.29
    1,1,2,2-tetrachloroethane 73.51
    2-methyl-cyclohexyl acetate 36.57
    tetrabutyl urea 36.44
    diisobutyl methanol 14.46
    2-phenylethanol 37.64
    styrene 39.27
    dioctyl adipate 32.7
    dimethyl sulfate 123.03
    ethyl butyrate 38.97
    methyl lactate 37.89
    butyl lactate 27.35
    diethyl carbonate 26.16
    propanediol butyl ether 21.59
    triethyl orthoformate 32.3
    p-tert-butyltoluene 30.03
    methyl 4-tert-butylbenzoate 60.44
    morpholine 58.24
    tert-butylamine 7.23
    n-dodecanol 9.61
    dimethoxymethane 101.42
    ethylene carbonate 36.96
    cyrene 63.0
    2-ethoxyethyl acetate 53.63
    2-ethylhexyl acetate 33.38
    1,2,4-trichlorobenzene 60.31
    4-methylpyridine 100.32
    dibutyl ether 22.59
    2,6-dimethyl-4-heptanol 14.46
    DEF 95.4
    dimethyl isosorbide 95.29
    tetrachloroethylene 56.7
    eugenol 54.21
    triacetin 58.98
    span 80 32.52
    1,4-butanediol 6.34
    1,1-dichloroethane 30.69
    2-methyl-1-pentanol 9.44
    methyl formate 64.38
    2-methyl-1-butanol 7.3
    n-decane 5.21
    butyronitrile 15.0
    3,7-dimethyl-1-octanol 14.03
    1-chlorooctane 14.97
    1-chlorotetradecane 8.02
    n-nonane 4.8
    undecane 4.01
    tert-butylcyclohexane 4.6
    cyclooctane 3.44
    cyclopentanol 18.08
    tetrahydropyran 37.43
    tert-amyl methyl ether 34.65
    2,5,8-trioxanonane 67.72
    1-hexene 11.36
    2-isopropoxyethanol 22.35
    2,2,2-trifluoroethanol 16.43
    methyl butyrate 40.93

    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