Cyanogen iodide

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  • Identifiers

    CAS number
    506-78-5

    Molecular formula
    CIN

    SMILES
    C(#N)I

    Safety labels

    Acute Toxic
    Acute Toxic

  • Odor profile

    Fragrance
    Odorless 35.96%
    Floral 32.12%
    Fishy 21.73%
    Pungent 20.55%
    Sulfurous 19.65%
    Bitter 16.33%
    Meaty 15.45%
    Sharp 15.19%
    Sweet 15.13%
    Burnt 14.95%

     

    Flavor
    Bitter 51.12%
    Odorless 34.6%
    Rotten 19.37%
    Nitrile 19.21%
    Formyl 19.12%
    Mousy 18.37%
    Decomposing cabbage 17.45%
    Bread crust 16.91%
    Shrimp 16.87%
    Penetrating 16.79%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.9

    pKa est.
    9.57 (weak base)

    Molecular weight
    152.922 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Melting point expt.

    • 295.7 °F (EPA, 1998)
    • 146.7 °C
    • 146-147 °C

    Boiling point

    • Sublimation at temperatures > 45 °C

    Flash point

    • 42.1 ˚C est.

    Solubility expt.

    • Very soluble in ethyl ether, ethanol
    • Soluble in ethanol, ether, and volatile oils
    • In water, 3.56X10+4 mg/L at 25 °C
    • Solubility in water: slow reaction

  • Synonyms

    • CYANOGEN IODIDE
    • Iodine cyanide
    • Jodcyan
    • carbononitridic iodide
    • Iodine monocyanide
    • 506-78-5
    • Iodocyanide
    • Cyanogen monoiodide
    • Iodine cyanide (I(CN))
    • HSDB 6328
    • EINECS 208-053-3
    • UNII-81ESV254UF
    • BRN 1697297
    • 81ESV254UF
    • AI3-28744
    • CYANOGEN IODIDE [MI]
    • CYANOGEN IODIDE [HSDB]
    • DTXSID50870573
    • 4-03-00-00093 (Beilstein Handbook Reference)
    • cyanic iodide
    • Cyanogen moniodide
    • Yoduro de cianogeno
    • IODOCYANIDE (ICN)
    • Yoduro de cianogeno (Spanish)
    • IODINE MONOCYANIDE (ICN)
    • DTXCID60818284
    • NS00080392
    • A828244
    • Q1184988

  • Applications

    Cyanogen iodide (CAS 506-78-5) is primarily employed in organic synthesis as an electrophilic cyanating reagent, delivering the cyano group to substrates to form nitriles under appropriate conditions; it is also used as an intermediate in the preparation of nitrile-containing compounds for pharmaceutical, agrochemical, and specialty chemicals. In polymer and materials chemistry, it may be used to introduce nitrile functionality into polymers or coatings to enable downstream cross-linking or property tuning. In laboratory and development settings, it serves as a cyanogen source for small-scale synthesis and as a reactive reagent for specific coupling transformations, subject to proper handling and regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 48.78
    methanol 64.29
    isopropanol 40.84
    water 5.58
    ethyl acetate 101.74
    n-propanol 43.58
    acetone 228.94
    n-butanol 36.52
    acetonitrile 147.99
    DMF 420.92
    toluene 78.52
    isobutanol 34.83
    1,4-dioxane 227.26
    methyl acetate 140.0
    THF 248.91
    2-butanone 129.01
    n-pentanol 45.12
    sec-butanol 39.17
    n-hexane 20.95
    ethylene glycol 53.98
    NMP 451.37
    cyclohexane 41.79
    DMSO 451.14
    n-butyl acetate 102.91
    n-octanol 57.39
    chloroform 163.83
    n-propyl acetate 99.03
    acetic acid 122.97
    dichloromethane 168.61
    cyclohexanone 171.53
    propylene glycol 34.0
    isopropyl acetate 72.91
    DMAc 377.83
    2-ethoxyethanol 113.85
    isopentanol 36.44
    n-heptane 39.93
    ethyl formate 79.92
    1,2-dichloroethane 133.09
    n-hexanol 51.17
    2-methoxyethanol 134.34
    isobutyl acetate 70.34
    tetrachloromethane 56.09
    n-pentyl acetate 86.5
    transcutol 371.59
    n-heptanol 43.03
    ethylbenzene 53.16
    MIBK 76.92
    2-propoxyethanol 109.56
    tert-butanol 56.85
    MTBE 73.02
    2-butoxyethanol 84.98
    propionic acid 65.65
    o-xylene 73.29
    formic acid 68.61
    diethyl ether 88.61
    m-xylene 61.9
    p-xylene 69.99
    chlorobenzene 101.02
    dimethyl carbonate 98.64
    n-octane 19.92
    formamide 118.03
    cyclopentanone 228.9
    2-pentanone 101.1
    anisole 113.34
    cyclopentyl methyl ether 126.75
    gamma-butyrolactone 219.37
    1-methoxy-2-propanol 100.13
    pyridine 198.92
    3-pentanone 112.86
    furfural 284.83
    n-dodecane 18.58
    diethylene glycol 134.14
    diisopropyl ether 52.92
    tert-amyl alcohol 48.99
    acetylacetone 187.47
    n-hexadecane 20.62
    acetophenone 130.19
    methyl propionate 103.7
    isopentyl acetate 87.43
    trichloroethylene 230.33
    n-nonanol 54.98
    cyclohexanol 57.36
    benzyl alcohol 81.89
    2-ethylhexanol 52.1
    isooctanol 40.04
    dipropyl ether 97.32
    1,2-dichlorobenzene 109.21
    ethyl lactate 61.81
    propylene carbonate 112.33
    n-methylformamide 140.38
    2-pentanol 35.1
    n-pentane 19.69
    1-propoxy-2-propanol 98.36
    1-methoxy-2-propyl acetate 115.79
    2-(2-methoxypropoxy) propanol 128.2
    mesitylene 52.7
    ε-caprolactone 136.5
    p-cymene 59.0
    epichlorohydrin 198.0
    1,1,1-trichloroethane 133.91
    2-aminoethanol 53.28
    morpholine-4-carbaldehyde 376.43
    sulfolane 304.73
    2,2,4-trimethylpentane 14.67
    2-methyltetrahydrofuran 148.29
    n-hexyl acetate 99.94
    isooctane 12.62
    2-(2-butoxyethoxy)ethanol 144.27
    sec-butyl acetate 69.3
    tert-butyl acetate 90.11
    decalin 26.35
    glycerin 65.94
    diglyme 298.42
    acrylic acid 85.78
    isopropyl myristate 66.37
    n-butyric acid 59.86
    acetyl acetate 113.52
    di(2-ethylhexyl) phthalate 61.73
    ethyl propionate 82.06
    nitromethane 309.93
    1,2-diethoxyethane 169.67
    benzonitrile 121.79
    trioctyl phosphate 47.35
    1-bromopropane 68.25
    gamma-valerolactone 261.17
    n-decanol 48.53
    triethyl phosphate 63.35
    4-methyl-2-pentanol 30.05
    propionitrile 81.51
    vinylene carbonate 118.02
    1,1,2-trichlorotrifluoroethane 200.37
    DMS 127.07
    cumene 44.62
    2-octanol 38.54
    2-hexanone 107.02
    octyl acetate 74.47
    limonene 82.87
    1,2-dimethoxyethane 221.18
    ethyl orthosilicate 60.65
    tributyl phosphate 55.55
    diacetone alcohol 95.4
    N,N-dimethylaniline 116.69
    acrylonitrile 111.84
    aniline 79.1
    1,3-propanediol 53.78
    bromobenzene 106.75
    dibromomethane 117.63
    1,1,2,2-tetrachloroethane 179.45
    2-methyl-cyclohexyl acetate 84.43
    tetrabutyl urea 94.52
    diisobutyl methanol 46.48
    2-phenylethanol 78.43
    styrene 70.16
    dioctyl adipate 95.02
    dimethyl sulfate 188.66
    ethyl butyrate 91.61
    methyl lactate 75.81
    butyl lactate 68.6
    diethyl carbonate 69.2
    propanediol butyl ether 87.89
    triethyl orthoformate 79.26
    p-tert-butyltoluene 56.7
    methyl 4-tert-butylbenzoate 117.45
    morpholine 186.15
    tert-butylamine 42.93
    n-dodecanol 45.07
    dimethoxymethane 189.77
    ethylene carbonate 91.33
    cyrene 143.9
    2-ethoxyethyl acetate 125.25
    2-ethylhexyl acetate 80.83
    1,2,4-trichlorobenzene 130.0
    4-methylpyridine 158.31
    dibutyl ether 84.99
    2,6-dimethyl-4-heptanol 46.48
    DEF 168.59
    dimethyl isosorbide 219.52
    tetrachloroethylene 143.89
    eugenol 123.53
    triacetin 145.44
    span 80 116.47
    1,4-butanediol 43.74
    1,1-dichloroethane 98.9
    2-methyl-1-pentanol 42.11
    methyl formate 137.16
    2-methyl-1-butanol 34.17
    n-decane 24.59
    butyronitrile 69.19
    3,7-dimethyl-1-octanol 56.24
    1-chlorooctane 54.07
    1-chlorotetradecane 34.94
    n-nonane 24.52
    undecane 20.65
    tert-butylcyclohexane 22.39
    cyclooctane 24.09
    cyclopentanol 71.04
    tetrahydropyran 136.43
    tert-amyl methyl ether 69.64
    2,5,8-trioxanonane 247.29
    1-hexene 39.19
    2-isopropoxyethanol 94.41
    2,2,2-trifluoroethanol 83.43
    methyl butyrate 99.85

    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