Iodine trichloride

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  • Identifiers

    CAS number
    865-44-1

    Molecular formula
    Cl3I

    SMILES
    ClI(Cl)Cl

    Safety labels

    Oxidizer
    Oxidizer

    Corrosive
    Corrosive

  • Odor profile

    Fragrance
    Odorless 51.63%
    Fishy 42.05%
    Sweet 28.34%
    Ripe 21.21%
    Cheesy 19.07%
    Oily 16.76%
    Animal 16.17%
    Floral 15.86%
    Musty 14.92%
    Fresh 14.92%

     

    Flavor
    Odorless 41.69%
    Sulfury 23.14%
    Fishy 22.7%
    Sulfurous 22.65%
    Meaty 20.83%
    Glue 18.81%
    Bloody 18.64%
    Rotten 18.55%
    Mousy 18.52%
    Mild 18.17%

     

  • Properties

    XLogP3-AA
    3.3

    pKa est.
    -26.13 (strong acid)

    Molecular weight
    233.26 g/mol

    Flash point

    • 87.9 ˚C est.

  • Synonyms

    • Iodine trichloride
    • 865-44-1
    • trichloroiodine
    • Iodine chloride (ICl3)
    • UNII-1E5KQ66TRQ
    • 1E5KQ66TRQ
    • EINECS 212-739-8
    • IODINE TRICHLORIDE [MI]
    • DTXSID3061219
    • RefChem:148495
    • DTXCID8048529
    • IODINE TRICHLORIDE [INCI]
    • 212-739-8
    • trichloro-lambda3-iodane
    • MFCD00036291
    • Cl3I
    • Jodtrichlorid
    • Iodine trichloride, 97%
    • Trichloro-lambda~3~-iodane
    • SCHEMBL78013
    • AKOS015853996
    • AS-88290
    • Iodine trichloride, SAJ first grade, >=96.0%
    • Iodine trichloride, SAJ special grade, >=97.0%
    • Q419622
    • 865-44-1

  • Applications

    Iodine trichloride (CAS 865-44-1) is primarily used as an electrophilic iodinating and chlorinating reagent in organic synthesis, enabling introduction of iodine and/or chlorine into substrates such as arenes and alkenes. It also serves as a strong oxidizing agent for oxidative transformations in chemical manufacturing. It is used as a source for preparing iodine-containing intermediates and specialized reagents for research and development. In polymer and coating chemistry, it may be used in halogenation or crosslinking steps under controlled conditions. Use is subject to local regulations and formulation limits, and is typically restricted to research or specialized production applications.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 211.18
    methanol 211.58
    isopropanol 223.07
    water 13.71
    ethyl acetate 295.25
    n-propanol 186.92
    acetone 496.4
    n-butanol 202.31
    acetonitrile 192.7
    DMF 1042.9
    toluene 294.14
    isobutanol 161.94
    1,4-dioxane 560.06
    methyl acetate 259.36
    THF 949.34
    2-butanone 307.77
    n-pentanol 165.18
    sec-butanol 199.03
    n-hexane 107.53
    ethylene glycol 105.43
    NMP 955.15
    cyclohexane 183.01
    DMSO 904.99
    n-butyl acetate 237.06
    n-octanol 177.2
    chloroform 657.7
    n-propyl acetate 212.3
    acetic acid 293.28
    dichloromethane 592.5
    cyclohexanone 463.35
    propylene glycol 116.09
    isopropyl acetate 254.89
    DMAc 831.74
    2-ethoxyethanol 285.17
    isopentanol 188.15
    n-heptane 118.82
    ethyl formate 223.51
    1,2-dichloroethane 431.05
    n-hexanol 185.38
    2-methoxyethanol 454.07
    isobutyl acetate 163.85
    tetrachloromethane 257.55
    n-pentyl acetate 234.81
    transcutol 460.37
    n-heptanol 171.32
    ethylbenzene 165.23
    MIBK 257.64
    2-propoxyethanol 332.31
    tert-butanol 314.76
    MTBE 333.75
    2-butoxyethanol 268.34
    propionic acid 163.48
    o-xylene 244.5
    formic acid 139.05
    diethyl ether 351.68
    m-xylene 246.85
    p-xylene 217.9
    chlorobenzene 301.44
    dimethyl carbonate 245.31
    n-octane 73.15
    formamide 206.14
    cyclopentanone 596.27
    2-pentanone 337.03
    anisole 296.23
    cyclopentyl methyl ether 513.3
    gamma-butyrolactone 543.67
    1-methoxy-2-propanol 405.08
    pyridine 439.66
    3-pentanone 288.74
    furfural 601.0
    n-dodecane 56.32
    diethylene glycol 283.7
    diisopropyl ether 203.95
    tert-amyl alcohol 256.09
    acetylacetone 466.67
    n-hexadecane 62.81
    acetophenone 289.92
    methyl propionate 289.38
    isopentyl acetate 210.01
    trichloroethylene 661.73
    n-nonanol 170.43
    cyclohexanol 276.11
    benzyl alcohol 223.9
    2-ethylhexanol 158.7
    isooctanol 157.65
    dipropyl ether 267.33
    1,2-dichlorobenzene 302.0
    ethyl lactate 143.33
    propylene carbonate 340.64
    n-methylformamide 299.95
    2-pentanol 192.92
    n-pentane 131.28
    1-propoxy-2-propanol 295.21
    1-methoxy-2-propyl acetate 283.18
    2-(2-methoxypropoxy) propanol 250.19
    mesitylene 203.5
    ε-caprolactone 380.81
    p-cymene 157.89
    epichlorohydrin 563.95
    1,1,1-trichloroethane 479.7
    2-aminoethanol 135.11
    morpholine-4-carbaldehyde 780.81
    sulfolane 820.55
    2,2,4-trimethylpentane 83.52
    2-methyltetrahydrofuran 551.45
    n-hexyl acetate 253.74
    isooctane 74.05
    2-(2-butoxyethoxy)ethanol 293.32
    sec-butyl acetate 170.12
    tert-butyl acetate 329.19
    decalin 92.87
    glycerin 181.46
    diglyme 534.79
    acrylic acid 177.9
    isopropyl myristate 157.55
    n-butyric acid 238.86
    acetyl acetate 259.65
    di(2-ethylhexyl) phthalate 143.86
    ethyl propionate 213.84
    nitromethane 437.12
    1,2-diethoxyethane 293.21
    benzonitrile 240.63
    trioctyl phosphate 125.12
    1-bromopropane 306.7
    gamma-valerolactone 661.55
    n-decanol 142.34
    triethyl phosphate 156.34
    4-methyl-2-pentanol 145.45
    propionitrile 162.85
    vinylene carbonate 306.17
    1,1,2-trichlorotrifluoroethane 496.03
    DMS 210.57
    cumene 134.42
    2-octanol 158.53
    2-hexanone 231.3
    octyl acetate 186.4
    limonene 220.46
    1,2-dimethoxyethane 534.86
    ethyl orthosilicate 162.84
    tributyl phosphate 128.06
    diacetone alcohol 336.94
    N,N-dimethylaniline 306.26
    acrylonitrile 209.05
    aniline 282.01
    1,3-propanediol 197.07
    bromobenzene 333.57
    dibromomethane 458.68
    1,1,2,2-tetrachloroethane 594.94
    2-methyl-cyclohexyl acetate 198.52
    tetrabutyl urea 195.78
    diisobutyl methanol 150.04
    2-phenylethanol 210.09
    styrene 208.9
    dioctyl adipate 204.19
    dimethyl sulfate 446.17
    ethyl butyrate 220.81
    methyl lactate 203.35
    butyl lactate 181.49
    diethyl carbonate 161.46
    propanediol butyl ether 220.39
    triethyl orthoformate 204.36
    p-tert-butyltoluene 177.21
    methyl 4-tert-butylbenzoate 321.18
    morpholine 553.44
    tert-butylamine 243.05
    n-dodecanol 124.99
    dimethoxymethane 722.01
    ethylene carbonate 253.05
    cyrene 300.75
    2-ethoxyethyl acetate 258.78
    2-ethylhexyl acetate 197.78
    1,2,4-trichlorobenzene 344.76
    4-methylpyridine 461.91
    dibutyl ether 203.97
    2,6-dimethyl-4-heptanol 150.04
    DEF 470.41
    dimethyl isosorbide 443.99
    tetrachloroethylene 454.13
    eugenol 291.17
    triacetin 254.9
    span 80 256.67
    1,4-butanediol 110.64
    1,1-dichloroethane 397.63
    2-methyl-1-pentanol 155.37
    methyl formate 281.47
    2-methyl-1-butanol 174.2
    n-decane 80.68
    butyronitrile 190.07
    3,7-dimethyl-1-octanol 162.69
    1-chlorooctane 164.01
    1-chlorotetradecane 97.42
    n-nonane 79.91
    undecane 65.56
    tert-butylcyclohexane 92.57
    cyclooctane 99.11
    cyclopentanol 318.08
    tetrahydropyran 457.88
    tert-amyl methyl ether 318.37
    2,5,8-trioxanonane 409.55
    1-hexene 172.3
    2-isopropoxyethanol 232.61
    2,2,2-trifluoroethanol 185.22
    methyl butyrate 247.94

    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