Nitrosyl chloride

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  • Identifiers

    CAS number
    2696-92-6

    Molecular formula
    ClNO

    SMILES
    N(=O)Cl

    Safety labels

    Oxidizer
    Oxidizer

    Compressed Gas
    Compressed Gas

    Corrosive
    Corrosive

    Acute Toxic
    Acute Toxic

  • Odor profile

    Fragrance
    Odorless 65.33%
    Pungent 36.06%
    Sharp 26.38%
    Ethereal 19.61%
    Fruity 18.81%
    Burnt 18.28%
    Green 17.55%
    Cheesy 17.46%
    Fermented 17.31%
    Radish 16.92%

     

    Flavor
    Odorless 50.7%
    Pungent 40.84%
    Mustard 39.79%
    Bitter 31.78%
    Sulfur 31.5%
    Formyl 25.75%
    Vinegar 25.42%
    Mousy 22.49%
    Rotten 21.92%
    Garlic 21.77%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.7

    pKa est.
    2.71 (strong acid)

    Molecular weight
    65.46 g/mol

    Melting point expt.

    • -74 °F (USCG, 1999)
    • -64.5 °C
    • -61.5 °C
    • -64 °C

    Boiling point

    • 21.6 °F at 760 mmHg (USCG, 1999)
    • 21.6 °F
    • -5.5 °C
    • -5 - -6 °C

    Flash point

    • 22.55 ˚C est.

    Solubility expt.

    • SOL IN FUMING SULFURIC ACID
    • Solubility in water: reaction

  • Synonyms

    • NITROSYL CHLORIDE
    • Nitrogen oxychloride
    • Nitrosonium chloride
    • 2696-92-6
    • Nitrogen chloride oxide (nocl)
    • Nitrogen oxychloride (NOCl)
    • Nitrosyl chloride ((NO)Cl)
    • nitrosochloride
    • UNII-NHE5I1E5H6
    • NHE5I1E5H6
    • NOCl
    • ONCl
    • HSDB 849
    • Nitrogen oxide chloride (NOCl)
    • EINECS 220-273-1
    • UN1069
    • NITROSYL CHLORIDE [MI]
    • DTXSID5051945
    • NITROSYL CHLORIDE [HSDB]
    • UN 1069
    • Nitrosylchlorid
    • Nitrogen chloride oxide
    • DTXCID8030508
    • MFCD00040539
    • CHLORINE NITRIDE OXIDE (CLNO)
    • Nitrosyl chloride [UN1069] [Poison gas]
    • Nitrosyl chloride [UN1069] [Poison gas]
    • NS00049380
    • Q419266
    • 220-273-1

  • Applications

    Nitrosyl chloride (NOCl; CAS 2696-92-6) is primarily used as a reactive nitrosylating reagent in organic synthesis, enabling the introduction of nitroso groups into amines and other substrates to form N-nitroso or related intermediates. In pharmaceutical and agrochemical research, it is commonly evaluated as a route to nitrosylated building blocks and specialty intermediates. It is also employed in polymer and coatings chemistry for surface functionalization or to prepare nitrosyl-containing monomers as part of niche formulations. Additional uses include functioning as a nitrosylating reagent in controlled industrial syntheses and as a laboratory tool in developing nitrosylation routes. Handling requires corrosion-resistant equipment and strict control of atmosphere, with use subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 112.2
    methanol 188.05
    isopropanol 86.15
    water 39.95
    ethyl acetate 89.71
    n-propanol 80.5
    acetone 378.55
    n-butanol 65.97
    acetonitrile 288.7
    DMF 1103.11
    toluene 42.13
    isobutanol 59.7
    1,4-dioxane 196.66
    methyl acetate 148.05
    THF 226.93
    2-butanone 183.49
    n-pentanol 63.17
    sec-butanol 66.09
    n-hexane 12.69
    ethylene glycol 94.36
    NMP 656.94
    cyclohexane 22.24
    DMSO 1171.58
    n-butyl acetate 62.28
    n-octanol 38.89
    chloroform 102.44
    n-propyl acetate 81.05
    acetic acid 208.67
    dichloromethane 165.51
    cyclohexanone 168.34
    propylene glycol 49.54
    isopropyl acetate 54.67
    DMAc 780.63
    2-ethoxyethanol 154.04
    isopentanol 57.44
    n-heptane 18.67
    ethyl formate 85.48
    1,2-dichloroethane 146.42
    n-hexanol 41.94
    2-methoxyethanol 223.64
    isobutyl acetate 46.04
    tetrachloromethane 27.66
    n-pentyl acetate 46.82
    transcutol 313.58
    n-heptanol 27.96
    ethylbenzene 27.39
    MIBK 65.59
    2-propoxyethanol 99.19
    tert-butanol 104.54
    MTBE 88.19
    2-butoxyethanol 68.96
    propionic acid 86.17
    o-xylene 48.46
    formic acid 153.49
    diethyl ether 103.69
    m-xylene 35.94
    p-xylene 41.3
    chlorobenzene 48.88
    dimethyl carbonate 87.83
    n-octane 8.15
    formamide 269.88
    cyclopentanone 210.18
    2-pentanone 119.26
    anisole 87.46
    cyclopentyl methyl ether 103.08
    gamma-butyrolactone 196.09
    1-methoxy-2-propanol 140.62
    pyridine 177.06
    3-pentanone 119.16
    furfural 230.12
    n-dodecane 7.71
    diethylene glycol 118.54
    diisopropyl ether 35.28
    tert-amyl alcohol 76.53
    acetylacetone 147.37
    n-hexadecane 8.33
    acetophenone 105.45
    methyl propionate 110.25
    isopentyl acetate 49.97
    trichloroethylene 189.09
    n-nonanol 35.76
    cyclohexanol 67.26
    benzyl alcohol 70.2
    2-ethylhexanol 33.76
    isooctanol 25.78
    dipropyl ether 66.78
    1,2-dichlorobenzene 49.85
    ethyl lactate 49.9
    propylene carbonate 77.14
    n-methylformamide 313.3
    2-pentanol 50.12
    n-pentane 17.16
    1-propoxy-2-propanol 80.15
    1-methoxy-2-propyl acetate 70.08
    2-(2-methoxypropoxy) propanol 98.79
    mesitylene 29.55
    ε-caprolactone 113.32
    p-cymene 28.15
    epichlorohydrin 183.53
    1,1,1-trichloroethane 86.17
    2-aminoethanol 96.41
    morpholine-4-carbaldehyde 464.13
    sulfolane 311.62
    2,2,4-trimethylpentane 10.04
    2-methyltetrahydrofuran 132.68
    n-hexyl acetate 56.87
    isooctane 6.96
    2-(2-butoxyethoxy)ethanol 108.08
    sec-butyl acetate 47.0
    tert-butyl acetate 58.68
    decalin 10.69
    glycerin 85.65
    diglyme 242.26
    acrylic acid 112.28
    isopropyl myristate 31.55
    n-butyric acid 71.47
    acetyl acetate 64.26
    di(2-ethylhexyl) phthalate 32.78
    ethyl propionate 72.06
    nitromethane 494.36
    1,2-diethoxyethane 111.86
    benzonitrile 90.67
    trioctyl phosphate 25.38
    1-bromopropane 69.21
    gamma-valerolactone 269.64
    n-decanol 29.76
    triethyl phosphate 39.64
    4-methyl-2-pentanol 32.33
    propionitrile 127.61
    vinylene carbonate 83.86
    1,1,2-trichlorotrifluoroethane 178.76
    DMS 73.36
    cumene 24.56
    2-octanol 23.41
    2-hexanone 101.52
    octyl acetate 39.31
    limonene 42.73
    1,2-dimethoxyethane 296.85
    ethyl orthosilicate 37.88
    tributyl phosphate 31.97
    diacetone alcohol 85.14
    N,N-dimethylaniline 104.25
    acrylonitrile 186.31
    aniline 63.9
    1,3-propanediol 91.04
    bromobenzene 42.78
    dibromomethane 100.68
    1,1,2,2-tetrachloroethane 137.55
    2-methyl-cyclohexyl acetate 44.59
    tetrabutyl urea 64.83
    diisobutyl methanol 29.57
    2-phenylethanol 49.44
    styrene 37.85
    dioctyl adipate 51.7
    dimethyl sulfate 193.04
    ethyl butyrate 63.81
    methyl lactate 77.48
    butyl lactate 45.37
    diethyl carbonate 44.24
    propanediol butyl ether 73.87
    triethyl orthoformate 51.24
    p-tert-butyltoluene 27.03
    methyl 4-tert-butylbenzoate 77.16
    morpholine 236.96
    tert-butylamine 68.82
    n-dodecanol 26.41
    dimethoxymethane 269.27
    ethylene carbonate 66.99
    cyrene 99.65
    2-ethoxyethyl acetate 69.21
    2-ethylhexyl acetate 42.08
    1,2,4-trichlorobenzene 66.58
    4-methylpyridine 147.17
    dibutyl ether 53.41
    2,6-dimethyl-4-heptanol 29.57
    DEF 243.63
    dimethyl isosorbide 130.74
    tetrachloroethylene 109.71
    eugenol 82.87
    triacetin 81.47
    span 80 72.63
    1,4-butanediol 60.19
    1,1-dichloroethane 96.06
    2-methyl-1-pentanol 52.49
    methyl formate 222.99
    2-methyl-1-butanol 54.57
    n-decane 10.61
    butyronitrile 96.58
    3,7-dimethyl-1-octanol 39.11
    1-chlorooctane 25.86
    1-chlorotetradecane 15.06
    n-nonane 10.58
    undecane 8.7
    tert-butylcyclohexane 9.45
    cyclooctane 9.86
    cyclopentanol 78.06
    tetrahydropyran 129.41
    tert-amyl methyl ether 78.23
    2,5,8-trioxanonane 187.56
    1-hexene 32.82
    2-isopropoxyethanol 103.45
    2,2,2-trifluoroethanol 112.17
    methyl butyrate 96.1

    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