Pyrazinecarbonitrile

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  • Identifiers

    CAS number
    19847-12-2

    Molecular formula
    C5H3N3

    SMILES
    C1=CN=C(C=N1)C#N

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Nutty 59.42%
    Roasted 45.33%
    Burnt 39.11%
    Popcorn 37.23%
    Musty 35.9%
    Almond 31.34%
    Coffee 30.19%
    Hazelnut 26.3%
    Meaty 26.08%
    Earthy 25.82%

     

    Flavor
    Bitter 76.75%
    Nutty 40.21%
    Roasted 33.37%
    Odorless 26.24%
    Popcorn 25.65%
    Corn 25.02%
    Chip 23.39%
    Chocolate 23.04%
    Roast 22.76%
    Bread crust 21.93%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    3.2 (weak acid)

    Molecular weight
    105.1 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    193°C

    Flash point

    • 104.88 ˚C est.

  • Synonyms

    • Pyrazinecarbonitrile
    • 2-Cyanopyrazine
    • 19847-12-2
    • Cyanopyrazine
    • Pyrazinenitrile
    • Pyrazinonitrile
    • NSC-72371
    • 74CP756B49
    • NSC-166137
    • CHEBI:3982
    • DTXSID9066540
    • RefChem:470759
    • DTXCID6036174
    • 243-369-5
    • Pyrazine-2-carbonitrile
    • 2-Pyrazinecarbonitrile
    • MFCD00049361
    • Pyrazinecarbonitrile-
    • EINECS 243-369-5
    • PncA Inhibitor, 6
    • NSC 166137
    • Pyrazinamide Impurity B
    • 2-Pyrazine carbonitrile
    • Pyrazinamide Impurity 2
    • PYRAZINYL CYANIDE
    • Pyrazinecarbonitrile, 99%
    • NCIOpen2_000422
    • SCHEMBL135948
    • SCHEMBL151926
    • SCHEMBL445395
    • SCHEMBL450931
    • orb3030210
    • CHEMBL4553837
    • SCHEMBL29892542
    • UNII-74CP756B49
    • BDBM92861
    • PMSVVUSIPKHUMT-UHFFFAOYSA-
    • BB_SC-08694
    • HY-Y0131
    • NSC72371
    • STR01734
    • EBC-13144
    • NSC166137
    • SBB055876
    • STL163427
    • AKOS005716621
    • AB02102
    • CS-W008971
    • FC10718
    • PS-9305
    • DB-025267
    • NS00026462
    • PYRAZINAMIDE IMPURITY B [EP IMPURITY]
    • ST50949448
    • EN300-44258
    • C02018
    • F002755
    • Q27106278
    • F0001-0707
    • Z448103898
    • InChI=1/C5H3N3/c6-3-5-4-7-1-2-8-5/h1-2,4H
    • Pyrazinamide EP Impurity B(Cyanopyrazine)(Discontinued,See C4X-14122)
    • 19847-12-2

  • Applications

    Pyrazinecarbonitrile, CAS 19847-12-2, is primarily used as a building block in organic synthesis to construct pyrazine-containing heterocycles. In pharmaceutical development, it serves as a key intermediate for pyrazine-based compounds with biological activity. In agrochemical research, it is used as a precursor for synthesizing pyrazine-derived agents studied for pest control. In materials science, it provides a starting point for pyrazine-containing derivatives used in polymeric and electronic materials. In fragrance chemistry, it may function as a precursor to pyrazine-based aroma compounds, contributing to characteristic notes in fragrances.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 29.96
    methanol 81.05
    isopropanol 13.81
    water 8.02
    ethyl acetate 77.67
    n-propanol 18.26
    acetone 133.52
    n-butanol 9.38
    acetonitrile 117.46
    DMF 784.41
    toluene 20.76
    isobutanol 11.17
    1,4-dioxane 118.64
    methyl acetate 130.82
    THF 96.88
    2-butanone 75.22
    n-pentanol 7.43
    sec-butanol 8.44
    n-hexane 0.5
    ethylene glycol 56.55
    NMP 583.67
    cyclohexane 1.7
    DMSO 648.68
    n-butyl acetate 27.3
    n-octanol 5.2
    chloroform 95.35
    n-propyl acetate 23.49
    acetic acid 78.2
    dichloromethane 129.9
    cyclohexanone 87.16
    propylene glycol 22.83
    isopropyl acetate 24.39
    DMAc 587.47
    2-ethoxyethanol 41.65
    isopentanol 7.91
    n-heptane 1.52
    ethyl formate 86.19
    1,2-dichloroethane 92.18
    n-hexanol 9.53
    2-methoxyethanol 132.41
    isobutyl acetate 10.82
    tetrachloromethane 14.03
    n-pentyl acetate 13.17
    transcutol 119.77
    n-heptanol 5.55
    ethylbenzene 6.14
    MIBK 15.09
    2-propoxyethanol 40.58
    tert-butanol 15.13
    MTBE 12.42
    2-butoxyethanol 21.43
    propionic acid 56.95
    o-xylene 15.13
    formic acid 134.91
    diethyl ether 17.12
    m-xylene 11.74
    p-xylene 10.4
    chlorobenzene 45.34
    dimethyl carbonate 91.88
    n-octane 0.5
    formamide 248.88
    cyclopentanone 131.64
    2-pentanone 35.09
    anisole 26.1
    cyclopentyl methyl ether 32.75
    gamma-butyrolactone 261.13
    1-methoxy-2-propanol 58.22
    pyridine 173.49
    3-pentanone 43.95
    furfural 315.54
    n-dodecane 0.6
    diethylene glycol 70.47
    diisopropyl ether 3.96
    tert-amyl alcohol 10.26
    acetylacetone 87.56
    n-hexadecane 0.69
    acetophenone 38.42
    methyl propionate 100.38
    isopentyl acetate 17.47
    trichloroethylene 196.43
    n-nonanol 5.19
    cyclohexanol 12.51
    benzyl alcohol 24.62
    2-ethylhexanol 7.18
    isooctanol 4.84
    dipropyl ether 13.03
    1,2-dichlorobenzene 46.14
    ethyl lactate 23.28
    propylene carbonate 99.4
    n-methylformamide 338.22
    2-pentanol 5.0
    n-pentane 0.58
    1-propoxy-2-propanol 25.39
    1-methoxy-2-propyl acetate 39.82
    2-(2-methoxypropoxy) propanol 29.36
    mesitylene 7.41
    ε-caprolactone 76.79
    p-cymene 7.08
    epichlorohydrin 171.51
    1,1,1-trichloroethane 52.1
    2-aminoethanol 43.88
    morpholine-4-carbaldehyde 353.65
    sulfolane 310.07
    2,2,4-trimethylpentane 0.54
    2-methyltetrahydrofuran 50.19
    n-hexyl acetate 14.92
    isooctane 0.37
    2-(2-butoxyethoxy)ethanol 35.08
    sec-butyl acetate 10.98
    tert-butyl acetate 18.05
    decalin 1.09
    glycerin 69.7
    diglyme 104.0
    acrylic acid 92.23
    isopropyl myristate 6.71
    n-butyric acid 41.2
    acetyl acetate 63.69
    di(2-ethylhexyl) phthalate 11.3
    ethyl propionate 27.73
    nitromethane 448.27
    1,2-diethoxyethane 25.45
    benzonitrile 53.96
    trioctyl phosphate 7.21
    1-bromopropane 19.7
    gamma-valerolactone 225.25
    n-decanol 4.29
    triethyl phosphate 14.95
    4-methyl-2-pentanol 3.47
    propionitrile 55.52
    vinylene carbonate 121.58
    1,1,2-trichlorotrifluoroethane 206.03
    DMS 51.68
    cumene 4.71
    2-octanol 2.96
    2-hexanone 16.43
    octyl acetate 9.27
    limonene 9.67
    1,2-dimethoxyethane 92.4
    ethyl orthosilicate 12.05
    tributyl phosphate 9.92
    diacetone alcohol 27.32
    N,N-dimethylaniline 21.98
    acrylonitrile 134.03
    aniline 39.29
    1,3-propanediol 37.05
    bromobenzene 44.63
    dibromomethane 57.4
    1,1,2,2-tetrachloroethane 133.52
    2-methyl-cyclohexyl acetate 13.63
    tetrabutyl urea 18.39
    diisobutyl methanol 4.76
    2-phenylethanol 19.18
    styrene 10.73
    dioctyl adipate 14.22
    dimethyl sulfate 228.35
    ethyl butyrate 22.61
    methyl lactate 72.09
    butyl lactate 16.52
    diethyl carbonate 20.82
    propanediol butyl ether 20.07
    triethyl orthoformate 17.25
    p-tert-butyltoluene 6.5
    methyl 4-tert-butylbenzoate 25.92
    morpholine 118.71
    tert-butylamine 7.66
    n-dodecanol 3.6
    dimethoxymethane 160.98
    ethylene carbonate 84.25
    cyrene 40.49
    2-ethoxyethyl acetate 31.54
    2-ethylhexyl acetate 14.27
    1,2,4-trichlorobenzene 63.09
    4-methylpyridine 119.18
    dibutyl ether 6.66
    2,6-dimethyl-4-heptanol 4.76
    DEF 113.17
    dimethyl isosorbide 52.36
    tetrachloroethylene 95.48
    eugenol 27.46
    triacetin 33.21
    span 80 19.06
    1,4-butanediol 17.9
    1,1-dichloroethane 48.61
    2-methyl-1-pentanol 6.27
    methyl formate 283.9
    2-methyl-1-butanol 7.26
    n-decane 0.75
    butyronitrile 31.11
    3,7-dimethyl-1-octanol 6.16
    1-chlorooctane 3.63
    1-chlorotetradecane 1.99
    n-nonane 0.65
    undecane 0.67
    tert-butylcyclohexane 0.84
    cyclooctane 0.58
    cyclopentanol 22.87
    tetrahydropyran 40.85
    tert-amyl methyl ether 10.02
    2,5,8-trioxanonane 68.12
    1-hexene 2.16
    2-isopropoxyethanol 20.88
    2,2,2-trifluoroethanol 82.06
    methyl butyrate 35.71

    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