Cyanogen Bromide

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  • Identifiers

    CAS number
    506-68-3

    Molecular formula
    CBrN

    SMILES
    C(#N)Br

    Safety labels

    Corrosive
    Corrosive

    Acute Toxic
    Acute Toxic

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Odorless 33.09%
    Floral 31.73%
    Pungent 22.65%
    Sulfurous 22.28%
    Fishy 21.9%
    Meaty 16.21%
    Bitter 15.77%
    Garlic 15.76%
    Sharp 15.58%
    Sweet 15.0%

     

    Flavor
    Bitter 48.37%
    Odorless 31.96%
    Rotten 19.32%
    Nitrile 19.21%
    Formyl 18.96%
    Mousy 18.13%
    Decomposing cabbage 17.38%
    Shrimp 16.74%
    Bread crust 16.71%
    Penetrating 16.71%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.1

    pKa est.
    6.9 (neutral)

    Molecular weight
    105.92 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Melting point expt.

    • 126 °F (EPA, 1998)
    • 52 °C

    Boiling point

    • 142 °F at 760 mmHg (EPA, 1998)
    • 61.5 °C
    • 61-62 °C

    Flash point

    • 34.21 ˚C est.
    • Not Applicable. Not flammable. (USCG, 1999)

    Solubility expt.

    • In water, soluble with hydrolysis
    • Soluble in ethanol, ethyl ether
    • Soluble in benzene
    • Aqueous solutions of alkalies decomposes /cyanogen bromide/ to alkali cyanide and alkali bromide
    • For more Solubility (Complete) data for CYANOGEN BROMIDE (6 total), please visit the HSDB record page.
    • Solubility in water: slow reaction

  • Synonyms

    • CYANOGEN BROMIDE
    • 506-68-3
    • Bromine cyanide
    • Cyanobromide
    • Bromocyanide
    • Bromocyanogen
    • Bromocyan
    • Campilit
    • carbononitridic bromide
    • Cyanogen monobromide
    • Bromure de cyanogen
    • Bromocyane
    • Cyanic bromide
    • Cyanogen bromide (BrCN)
    • Cyanogen bromide ((CN)Br)
    • RCRA waste number U246
    • TL 822
    • Bromine monocyanide
    • Bromure de cyanogen [French]
    • NSC 89684
    • HSDB 708
    • UNII-OS382OHJ8P
    • EINECS 208-051-2
    • BrCN
    • OS382OHJ8P
    • MFCD00011597
    • UN1889
    • BRN 1697296
    • Bromocyanide (BrCN)
    • DTXSID9021550
    • AI3-28715
    • (CN)Br
    • Bromine cyanide (BrCN)
    • NSC-89684
    • CYANOGEN BROMIDE [MI]
    • bromoformonitrile
    • DTXCID601550
    • CYANOGEN BROMIDE [HSDB]
    • 4-03-00-00092 (Beilstein Handbook Reference)
    • NSC89684
    • UN 1889
    • CYANOGEN-13C BROMIDE
    • cyanogenbromide
    • BROMURE DE CYANOGEN (FRENCH)
    • RCRA waste no. U246
    • bromcyane
    • cyano bromide
    • bromo cyane
    • Bromide, Cyanogen
    • Cyanic bromide #
    • CNBr
    • Bromocyanide(BrCN)
    • Br-CN
    • Bromine cyanide(BrCN)
    • WLN: E CN
    • CHEMBL3561885
    • Tox21_303779
    • Cyanogen bromide, >=98.5% (RT)
    • AKOS009152676
    • Cyanogen bromide, reagent grade, 97%
    • FC02319
    • Cyanogen bromide [UN1889] [Poison]
    • NCGC00356964-01
    • AS-87289
    • BP-10442
    • CAS-506-68-3
    • NS00043954
    • Cyanogen bromide, 99.995% trace metals basis
    • Q420258
    • 208-051-2

  • Applications

    Cyanogen Bromide (CAS 506-68-3) is used primarily in biochemistry and organic synthesis: it cleaves proteins at methionine residues to generate peptide fragments for sequencing and mapping; it is used to activate solid supports such as CNBr-activated agarose or cellulose for covalent immobilization of proteins or ligands in affinity purification and biosensor applications; it serves as a versatile reagent to introduce cyano groups and to form precursors for isocyanates or nitriles in organic synthesis; it functions as an intermediate in pharmaceutical research and development where cyanating or nitrile/isocyanate functionalities are required; and it is commonly evaluated for analytical or assay development in laboratory settings.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 51.07
    methanol 68.74
    isopropanol 45.75
    water 6.14
    ethyl acetate 70.51
    n-propanol 43.03
    acetone 202.1
    n-butanol 37.12
    acetonitrile 101.48
    DMF 407.05
    toluene 52.65
    isobutanol 34.34
    1,4-dioxane 171.08
    methyl acetate 97.23
    THF 215.06
    2-butanone 100.5
    n-pentanol 38.25
    sec-butanol 38.06
    n-hexane 14.0
    ethylene glycol 50.64
    NMP 361.09
    cyclohexane 24.71
    DMSO 455.77
    n-butyl acetate 64.85
    n-octanol 42.86
    chloroform 93.11
    n-propyl acetate 64.84
    acetic acid 104.35
    dichloromethane 97.13
    cyclohexanone 126.34
    propylene glycol 34.58
    isopropyl acetate 52.36
    DMAc 343.44
    2-ethoxyethanol 90.69
    isopentanol 35.69
    n-heptane 23.11
    ethyl formate 60.39
    1,2-dichloroethane 84.7
    n-hexanol 41.01
    2-methoxyethanol 119.21
    isobutyl acetate 47.53
    tetrachloromethane 31.46
    n-pentyl acetate 60.25
    transcutol 233.1
    n-heptanol 35.13
    ethylbenzene 32.56
    MIBK 59.55
    2-propoxyethanol 87.44
    tert-butanol 61.22
    MTBE 64.0
    2-butoxyethanol 66.64
    propionic acid 56.49
    o-xylene 48.79
    formic acid 61.8
    diethyl ether 69.37
    m-xylene 41.62
    p-xylene 43.15
    chlorobenzene 63.25
    dimethyl carbonate 81.76
    n-octane 12.5
    formamide 100.13
    cyclopentanone 181.81
    2-pentanone 78.65
    anisole 77.88
    cyclopentyl methyl ether 94.95
    gamma-butyrolactone 163.47
    1-methoxy-2-propanol 91.43
    pyridine 140.74
    3-pentanone 82.85
    furfural 196.22
    n-dodecane 12.08
    diethylene glycol 105.05
    diisopropyl ether 39.13
    tert-amyl alcohol 48.44
    acetylacetone 133.95
    n-hexadecane 13.25
    acetophenone 85.09
    methyl propionate 76.72
    isopentyl acetate 57.04
    trichloroethylene 128.81
    n-nonanol 40.54
    cyclohexanol 47.75
    benzyl alcohol 60.0
    2-ethylhexanol 36.29
    isooctanol 32.02
    dipropyl ether 63.49
    1,2-dichlorobenzene 62.77
    ethyl lactate 45.41
    propylene carbonate 84.43
    n-methylformamide 122.98
    2-pentanol 32.81
    n-pentane 15.52
    1-propoxy-2-propanol 71.86
    1-methoxy-2-propyl acetate 79.14
    2-(2-methoxypropoxy) propanol 88.43
    mesitylene 34.94
    ε-caprolactone 96.65
    p-cymene 35.14
    epichlorohydrin 142.44
    1,1,1-trichloroethane 77.02
    2-aminoethanol 50.9
    morpholine-4-carbaldehyde 280.73
    sulfolane 254.83
    2,2,4-trimethylpentane 11.42
    2-methyltetrahydrofuran 115.24
    n-hexyl acetate 65.81
    isooctane 10.01
    2-(2-butoxyethoxy)ethanol 104.23
    sec-butyl acetate 45.35
    tert-butyl acetate 68.28
    decalin 15.15
    glycerin 62.26
    diglyme 199.59
    acrylic acid 71.16
    isopropyl myristate 44.21
    n-butyric acid 50.78
    acetyl acetate 73.69
    di(2-ethylhexyl) phthalate 44.59
    ethyl propionate 54.95
    nitromethane 229.6
    1,2-diethoxyethane 103.12
    benzonitrile 77.68
    trioctyl phosphate 34.62
    1-bromopropane 46.04
    gamma-valerolactone 200.3
    n-decanol 35.11
    triethyl phosphate 40.76
    4-methyl-2-pentanol 27.91
    propionitrile 58.61
    vinylene carbonate 85.5
    1,1,2-trichlorotrifluoroethane 144.89
    DMS 80.17
    cumene 27.98
    2-octanol 30.88
    2-hexanone 73.34
    octyl acetate 51.7
    limonene 50.12
    1,2-dimethoxyethane 161.69
    ethyl orthosilicate 39.34
    tributyl phosphate 38.29
    diacetone alcohol 80.33
    N,N-dimethylaniline 78.72
    acrylonitrile 80.41
    aniline 63.79
    1,3-propanediol 53.02
    bromobenzene 60.67
    dibromomethane 70.33
    1,1,2,2-tetrachloroethane 107.28
    2-methyl-cyclohexyl acetate 52.95
    tetrabutyl urea 65.06
    diisobutyl methanol 33.48
    2-phenylethanol 55.13
    styrene 43.19
    dioctyl adipate 61.83
    dimethyl sulfate 162.56
    ethyl butyrate 57.75
    methyl lactate 64.1
    butyl lactate 50.83
    diethyl carbonate 43.6
    propanediol butyl ether 68.64
    triethyl orthoformate 51.38
    p-tert-butyltoluene 36.35
    methyl 4-tert-butylbenzoate 84.24
    morpholine 149.11
    tert-butylamine 43.13
    n-dodecanol 32.25
    dimethoxymethane 165.4
    ethylene carbonate 68.05
    cyrene 100.95
    2-ethoxyethyl acetate 85.46
    2-ethylhexyl acetate 50.34
    1,2,4-trichlorobenzene 77.17
    4-methylpyridine 114.52
    dibutyl ether 56.03
    2,6-dimethyl-4-heptanol 33.48
    DEF 126.09
    dimethyl isosorbide 146.44
    tetrachloroethylene 84.81
    eugenol 89.67
    triacetin 95.36
    span 80 81.56
    1,4-butanediol 37.18
    1,1-dichloroethane 64.49
    2-methyl-1-pentanol 34.06
    methyl formate 116.61
    2-methyl-1-butanol 32.43
    n-decane 15.65
    butyronitrile 51.59
    3,7-dimethyl-1-octanol 40.15
    1-chlorooctane 35.32
    1-chlorotetradecane 22.94
    n-nonane 15.28
    undecane 13.42
    tert-butylcyclohexane 14.07
    cyclooctane 13.92
    cyclopentanol 64.45
    tetrahydropyran 104.88
    tert-amyl methyl ether 58.46
    2,5,8-trioxanonane 168.94
    1-hexene 27.74
    2-isopropoxyethanol 70.89
    2,2,2-trifluoroethanol 62.9
    methyl butyrate 68.27

    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