Cyanogen Chloride

Overview IFRA Request a quote

  • Identifiers

    CAS number
    506-77-4

    Molecular formula
    CClN

    SMILES
    C(#N)Cl

    Safety labels

    Compressed Gas
    Compressed Gas

    Corrosive
    Corrosive

    Acute Toxic
    Acute Toxic

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Floral 41.92%
    Odorless 31.37%
    Pungent 21.38%
    Fishy 21.35%
    Sweet 18.65%
    Bitter 18.29%
    Sharp 16.83%
    Geranium 16.67%
    Sulfurous 15.76%
    Almond 15.61%

     

    Flavor
    Bitter 48.94%
    Odorless 33.75%
    Rotten 19.28%
    Nitrile 19.13%
    Formyl 18.93%
    Mousy 18.22%
    Decomposing cabbage 17.31%
    Shrimp 16.78%
    Bread crust 16.71%
    Penetrating 16.67%

     

    Odor impact est.
    Low

    Odor threshold

    • Odor Threshold Low: 1.0 [mg/m3]. The Guide from the Emergency Response Guidebook is for "cyanogen chloride, inhibited." Detection odor threshold
    • ... Pungent odor detectable at 2.5 mg/cu m (1 ppm).
    • 2 mg/cu m

  • Properties

    XLogP3-AA
    1.0

    pKa est.
    6.74 (neutral)

    Molecular weight
    61.47 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Melting point expt.

    • 20 °F (USCG, 1999)
    • -6.55 °C
    • -6 °C
    • 20 °F

    Boiling point

    • 55.6 °F at 760 mmHg (USCG, 1999)
    • 13 °C
    • 13.8 °C
    • 55 °F

    Flash point

    • 31.54 ˚C est.
    • Not Applicable. Not flammable. (USCG, 1999)
    • 51 °C

    Solubility expt.

    • 7 % (NIOSH, 2024)
    • Soluble in water, ethanol, ethyl ether
    • Soluble in oxygenated solvents
    • Soluble in water at 68 °F
    • In water, 27.5 mg/L at 25 °C
    • In water, 6X10+4 mg/L at 0 C
    • Solubility in water: soluble
    • 7%

  • Synonyms

    • CYANOGEN CHLORIDE
    • Chlorine cyanide
    • Chlorocyanide
    • Chlorocyanogen
    • Chlorcyan
    • Chlorocyan
    • 506-77-4
    • carbononitridic chloride
    • Cyanogen chloride ((CN)Cl)
    • Chlorine cyanide (ClCN)
    • Chlorure de cyanogene
    • RCRA waste number P033
    • Cyanic chloride
    • Caswell No. 267
    • Cyanochloride
    • HSDB 917
    • Chlorure de cyanogene [French]
    • EINECS 208-052-8
    • ClCN
    • UN1589
    • EPA Pesticide Chemical Code 025801
    • BRN 0969190
    • Chlorocyanide (ClCN)
    • 697I61NSA0
    • Cyanogen chloride (ClCN)
    • CYANOGEN CHLORIDE [MI]
    • CYANOGEN CHLORIDE [HSDB]
    • DTXSID4021551
    • 4-03-00-00090 (Beilstein Handbook Reference)
    • CK
    • CHLORURE DE CYANOGENE (FRENCH)
    • CYANOGEN CHLORIDE, (WITH < 0.9% WATER)
    • CYANOGEN CHLORIDE, [WITH < 0.9% WATER]
    • RCRA waste no. P033
    • Chlorine cyanide, inhibited
    • Cyanogen chloride, inhibited
    • cyanchloride
    • UNII-697I61NSA0
    • Chloroformonitrle
    • Agent CK
    • CNCl
    • Cyanic chloride #
    • Carbonitridic chloride
    • Caswell No 267
    • Cyanochloride (CNCll)
    • cyanogen chloride inhibited
    • Cyanogen chloride (ACGIH)
    • CYANOCHLORIDE (CNCL)
    • (C N) Cl
    • UN 1589 (Salt/Mix)
    • DTXCID001551
    • EPA Pesticide Code 025801
    • CYANOGEN CHLORIDE, STABILIZED
    • NS00006359
    • Q415075
    • Cyanogen chloride, inhibited [UN1589] [Poison gas]
    • 208-052-8

  • Applications

    Cyanogen chloride (CAS 506-77-4) is primarily used as an industrial intermediate to introduce nitrile and cyanamide functionalities into organic molecules, serving as a precursor to cyanamide derivatives and other nitrogen-containing reagents used in specialty chemical synthesis; it can be hydrolyzed or aminated to cyanamide, which provides a feedstock for calcium cyanamide fertilizer in agriculture; it is also applied in the production of cyanamide-based crosslinkers and curing agents for resins, coatings, and plastics, helping to harden polymers; and it functions as a reagent in various specialty syntheses to assemble nitrogen-rich building blocks for multiple industrial applications, subject to appropriate safety controls.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 108.76
    methanol 197.54
    isopropanol 83.53
    water 25.84
    ethyl acetate 102.71
    n-propanol 74.21
    acetone 399.07
    n-butanol 54.16
    acetonitrile 213.25
    DMF 1382.88
    toluene 53.95
    isobutanol 53.2
    1,4-dioxane 249.37
    methyl acetate 176.82
    THF 290.56
    2-butanone 178.26
    n-pentanol 46.82
    sec-butanol 57.5
    n-hexane 12.82
    ethylene glycol 111.09
    NMP 799.24
    cyclohexane 23.43
    DMSO 1163.69
    n-butyl acetate 70.92
    n-octanol 42.42
    chloroform 124.42
    n-propyl acetate 84.32
    acetic acid 223.51
    dichloromethane 138.88
    cyclohexanone 190.45
    propylene glycol 68.01
    isopropyl acetate 64.46
    DMAc 901.47
    2-ethoxyethanol 123.41
    isopentanol 44.21
    n-heptane 17.61
    ethyl formate 94.5
    1,2-dichloroethane 117.18
    n-hexanol 41.26
    2-methoxyethanol 224.58
    isobutyl acetate 54.12
    tetrachloromethane 37.89
    n-pentyl acetate 63.38
    transcutol 249.72
    n-heptanol 34.83
    ethylbenzene 26.52
    MIBK 66.93
    2-propoxyethanol 102.3
    tert-butanol 97.93
    MTBE 88.31
    2-butoxyethanol 77.83
    propionic acid 114.8
    o-xylene 45.96
    formic acid 171.82
    diethyl ether 95.81
    m-xylene 36.78
    p-xylene 41.8
    chlorobenzene 68.11
    dimethyl carbonate 145.12
    n-octane 8.94
    formamide 267.43
    cyclopentanone 290.75
    2-pentanone 117.82
    anisole 83.97
    cyclopentyl methyl ether 122.08
    gamma-butyrolactone 272.32
    1-methoxy-2-propanol 145.93
    pyridine 216.61
    3-pentanone 121.95
    furfural 300.32
    n-dodecane 8.85
    diethylene glycol 135.18
    diisopropyl ether 36.74
    tert-amyl alcohol 66.61
    acetylacetone 184.05
    n-hexadecane 9.54
    acetophenone 97.73
    methyl propionate 131.83
    isopentyl acetate 55.32
    trichloroethylene 185.47
    n-nonanol 37.62
    cyclohexanol 62.72
    benzyl alcohol 66.71
    2-ethylhexanol 31.81
    isooctanol 29.8
    dipropyl ether 62.32
    1,2-dichlorobenzene 62.26
    ethyl lactate 58.0
    propylene carbonate 124.05
    n-methylformamide 363.33
    2-pentanol 41.46
    n-pentane 15.01
    1-propoxy-2-propanol 80.18
    1-methoxy-2-propyl acetate 85.05
    2-(2-methoxypropoxy) propanol 89.46
    mesitylene 29.01
    ε-caprolactone 137.12
    p-cymene 26.65
    epichlorohydrin 192.92
    1,1,1-trichloroethane 93.77
    2-aminoethanol 95.77
    morpholine-4-carbaldehyde 540.42
    sulfolane 434.06
    2,2,4-trimethylpentane 9.61
    2-methyltetrahydrofuran 149.23
    n-hexyl acetate 69.26
    isooctane 7.61
    2-(2-butoxyethoxy)ethanol 104.56
    sec-butyl acetate 51.03
    tert-butyl acetate 73.8
    decalin 10.91
    glycerin 125.47
    diglyme 241.5
    acrylic acid 150.54
    isopropyl myristate 38.01
    n-butyric acid 85.54
    acetyl acetate 94.55
    di(2-ethylhexyl) phthalate 39.41
    ethyl propionate 68.48
    nitromethane 550.79
    1,2-diethoxyethane 99.55
    benzonitrile 96.79
    trioctyl phosphate 31.25
    1-bromopropane 54.22
    gamma-valerolactone 326.85
    n-decanol 31.42
    triethyl phosphate 39.82
    4-methyl-2-pentanol 28.9
    propionitrile 102.2
    vinylene carbonate 123.86
    1,1,2-trichlorotrifluoroethane 240.42
    DMS 102.48
    cumene 22.09
    2-octanol 28.58
    2-hexanone 92.56
    octyl acetate 47.18
    limonene 41.02
    1,2-dimethoxyethane 257.37
    ethyl orthosilicate 36.84
    tributyl phosphate 35.74
    diacetone alcohol 93.34
    N,N-dimethylaniline 88.8
    acrylonitrile 162.77
    aniline 80.77
    1,3-propanediol 93.17
    bromobenzene 61.85
    dibromomethane 89.92
    1,1,2,2-tetrachloroethane 146.43
    2-methyl-cyclohexyl acetate 46.05
    tetrabutyl urea 66.07
    diisobutyl methanol 29.35
    2-phenylethanol 52.42
    styrene 40.78
    dioctyl adipate 56.67
    dimethyl sulfate 313.19
    ethyl butyrate 59.34
    methyl lactate 110.24
    butyl lactate 56.63
    diethyl carbonate 44.11
    propanediol butyl ether 82.73
    triethyl orthoformate 49.49
    p-tert-butyltoluene 28.47
    methyl 4-tert-butylbenzoate 88.27
    morpholine 245.89
    tert-butylamine 60.0
    n-dodecanol 28.16
    dimethoxymethane 335.44
    ethylene carbonate 99.11
    cyrene 103.57
    2-ethoxyethyl acetate 89.87
    2-ethylhexyl acetate 46.66
    1,2,4-trichlorobenzene 82.4
    4-methylpyridine 177.08
    dibutyl ether 51.14
    2,6-dimethyl-4-heptanol 29.35
    DEF 253.16
    dimethyl isosorbide 133.67
    tetrachloroethylene 119.54
    eugenol 91.87
    triacetin 103.75
    span 80 80.83
    1,4-butanediol 55.84
    1,1-dichloroethane 89.34
    2-methyl-1-pentanol 37.22
    methyl formate 275.93
    2-methyl-1-butanol 42.04
    n-decane 11.95
    butyronitrile 76.37
    3,7-dimethyl-1-octanol 36.44
    1-chlorooctane 29.32
    1-chlorotetradecane 17.43
    n-nonane 11.55
    undecane 9.85
    tert-butylcyclohexane 10.21
    cyclooctane 9.78
    cyclopentanol 91.93
    tetrahydropyran 144.05
    tert-amyl methyl ether 71.88
    2,5,8-trioxanonane 184.47
    1-hexene 28.78
    2-isopropoxyethanol 85.22
    2,2,2-trifluoroethanol 123.3
    methyl butyrate 95.9

    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