Chloropyrazine

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  • Identifiers

    CAS number
    14508-49-7

    Molecular formula
    C4H3ClN2

    SMILES
    C1=CN=C(C=N1)Cl

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Nutty 83.27%
    Roasted 76.25%
    Cocoa 57.44%
    Meaty 54.08%
    Hazelnut 53.94%
    Musty 51.68%
    Coffee 50.33%
    Burnt 45.93%
    Popcorn 45.06%
    Potato 42.36%

     

    Flavor
    Nutty 60.26%
    Roasted 52.46%
    Bitter 43.81%
    Coffee 43.67%
    Cocoa 42.23%
    Roast 36.59%
    Popcorn 36.25%
    Chocolate 36.15%
    Hazelnut 33.87%
    Corn 33.76%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.7

    pKa est.
    2.65 (strong acid)

    Molecular weight
    114.53 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    169°C

    Flash point

    • 81.61 ˚C est.

  • Synonyms

    • 2-Chloropyrazine
    • 14508-49-7
    • Chloropyrazine
    • pyrazine, 2-chloro-
    • Pyrazine, chloro-
    • 2-chloro-pyrazine
    • MFCD00006124
    • EINECS 238-517-0
    • CHEMBL1741693
    • DTXSID0065779
    • 2-chloro pyrazine
    • chioropyrazine
    • chloropyrazin
    • chloro-pyrazine
    • 6-chloropyrazine
    • 2- chloropyrazine
    • AQF7YV7HTW
    • Prestwick0_001087
    • Prestwick1_001087
    • Prestwick2_001087
    • Prestwick3_001087
    • 2-Chloropyrazine, 97%
    • SCHEMBL6771
    • BSPBio_001134
    • SPBio_003027
    • BPBio1_001248
    • DTXCID5034723
    • CHEBI:95323
    • HMS1571I16
    • HMS2098I16
    • BCP26699
    • HY-Y0109
    • STR02733
    • BBL011919
    • BDBM50622807
    • STL163428
    • AKOS000121584
    • AC-2454
    • CCG-221087
    • CS-W018537
    • PS-9235
    • NCGC00016707-01
    • NCGC00016707-02
    • BP-12074
    • CAS-14508-49-7
    • DB-006092
    • AB00514039
    • NS00024720
    • EN300-21095
    • SR-01000872682
    • SR-01000872682-1
    • BRD-K84075000-001-03-0
    • BRD-K84075000-001-05-5
    • Q27167194
    • F2173-0204
    • Z104490192
    • 238-517-0

  • Applications

    Chloropyrazine (CAS 14508-49-7) is primarily used as an organic synthesis intermediate and building block for subsequent transformations. In industry, it may serve as a precursor for pyrazine-containing compounds used in pharmaceutical and agrochemical research, as well as for dyes, pigments, and polymer materials bearing a pyrazine core. It can be employed as a starting material for coordination chemistry ligands and other functionalized heterocycles, and is often evaluated for potential use in electronics, coatings and inks, subject to formulation constraints and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 24.71
    methanol 29.13
    isopropanol 24.34
    water 0.94
    ethyl acetate 64.04
    n-propanol 26.19
    acetone 139.02
    n-butanol 25.13
    acetonitrile 131.42
    DMF 191.34
    toluene 30.9
    isobutanol 21.05
    1,4-dioxane 104.47
    methyl acetate 85.37
    THF 132.37
    2-butanone 98.2
    n-pentanol 22.79
    sec-butanol 25.69
    n-hexane 2.37
    ethylene glycol 9.48
    NMP 233.33
    cyclohexane 4.93
    DMSO 317.54
    n-butyl acetate 53.21
    n-octanol 10.97
    chloroform 71.85
    n-propyl acetate 39.84
    acetic acid 61.59
    dichloromethane 95.64
    cyclohexanone 100.45
    propylene glycol 7.53
    isopropyl acetate 31.65
    DMAc 248.89
    2-ethoxyethanol 47.09
    isopentanol 24.1
    n-heptane 6.01
    ethyl formate 52.86
    1,2-dichloroethane 77.16
    n-hexanol 20.21
    2-methoxyethanol 66.57
    isobutyl acetate 21.21
    tetrachloromethane 13.21
    n-pentyl acetate 26.1
    transcutol 154.93
    n-heptanol 11.29
    ethylbenzene 12.01
    MIBK 27.83
    2-propoxyethanol 43.83
    tert-butanol 33.52
    MTBE 37.76
    2-butoxyethanol 28.71
    propionic acid 32.18
    o-xylene 25.32
    formic acid 29.69
    diethyl ether 44.28
    m-xylene 19.2
    p-xylene 20.67
    chlorobenzene 41.77
    dimethyl carbonate 27.75
    n-octane 1.82
    formamide 55.17
    cyclopentanone 122.16
    2-pentanone 58.54
    anisole 38.14
    cyclopentyl methyl ether 51.66
    gamma-butyrolactone 133.31
    1-methoxy-2-propanol 42.13
    pyridine 111.1
    3-pentanone 58.62
    furfural 149.06
    n-dodecane 1.65
    diethylene glycol 38.99
    diisopropyl ether 11.05
    tert-amyl alcohol 31.43
    acetylacetone 68.03
    n-hexadecane 1.87
    acetophenone 43.19
    methyl propionate 54.32
    isopentyl acetate 38.69
    trichloroethylene 128.44
    n-nonanol 11.03
    cyclohexanol 29.39
    benzyl alcohol 27.76
    2-ethylhexanol 18.24
    isooctanol 10.49
    dipropyl ether 32.69
    1,2-dichlorobenzene 37.73
    ethyl lactate 17.7
    propylene carbonate 59.39
    n-methylformamide 76.96
    2-pentanol 17.99
    n-pentane 3.4
    1-propoxy-2-propanol 38.62
    1-methoxy-2-propyl acetate 48.61
    2-(2-methoxypropoxy) propanol 46.12
    mesitylene 11.46
    ε-caprolactone 77.96
    p-cymene 15.44
    epichlorohydrin 135.39
    1,1,1-trichloroethane 58.37
    2-aminoethanol 15.34
    morpholine-4-carbaldehyde 161.79
    sulfolane 161.87
    2,2,4-trimethylpentane 2.71
    2-methyltetrahydrofuran 95.61
    n-hexyl acetate 26.24
    isooctane 1.55
    2-(2-butoxyethoxy)ethanol 50.51
    sec-butyl acetate 24.55
    tert-butyl acetate 29.42
    decalin 3.03
    glycerin 16.09
    diglyme 111.99
    acrylic acid 33.44
    isopropyl myristate 12.96
    n-butyric acid 40.92
    acetyl acetate 43.25
    di(2-ethylhexyl) phthalate 16.26
    ethyl propionate 33.85
    nitromethane 179.0
    1,2-diethoxyethane 67.81
    benzonitrile 55.21
    trioctyl phosphate 10.59
    1-bromopropane 40.17
    gamma-valerolactone 154.38
    n-decanol 9.31
    triethyl phosphate 22.98
    4-methyl-2-pentanol 11.82
    propionitrile 69.55
    vinylene carbonate 60.02
    1,1,2-trichlorotrifluoroethane 78.06
    DMS 34.01
    cumene 9.75
    2-octanol 8.43
    2-hexanone 41.88
    octyl acetate 16.71
    limonene 23.06
    1,2-dimethoxyethane 106.1
    ethyl orthosilicate 21.82
    tributyl phosphate 14.69
    diacetone alcohol 36.96
    N,N-dimethylaniline 32.23
    acrylonitrile 84.15
    aniline 43.97
    1,3-propanediol 23.5
    bromobenzene 37.75
    dibromomethane 62.23
    1,1,2,2-tetrachloroethane 84.43
    2-methyl-cyclohexyl acetate 26.21
    tetrabutyl urea 24.56
    diisobutyl methanol 13.32
    2-phenylethanol 27.6
    styrene 16.97
    dioctyl adipate 22.15
    dimethyl sulfate 62.63
    ethyl butyrate 40.81
    methyl lactate 24.35
    butyl lactate 21.11
    diethyl carbonate 30.84
    propanediol butyl ether 23.35
    triethyl orthoformate 31.76
    p-tert-butyltoluene 14.15
    methyl 4-tert-butylbenzoate 32.69
    morpholine 115.02
    tert-butylamine 19.94
    n-dodecanol 8.0
    dimethoxymethane 71.42
    ethylene carbonate 49.0
    cyrene 44.49
    2-ethoxyethyl acetate 46.13
    2-ethylhexyl acetate 33.33
    1,2,4-trichlorobenzene 48.51
    4-methylpyridine 107.93
    dibutyl ether 21.98
    2,6-dimethyl-4-heptanol 13.32
    DEF 94.2
    dimethyl isosorbide 80.37
    tetrachloroethylene 53.77
    eugenol 33.68
    triacetin 36.94
    span 80 25.98
    1,4-butanediol 12.82
    1,1-dichloroethane 59.32
    2-methyl-1-pentanol 23.19
    methyl formate 60.37
    2-methyl-1-butanol 23.52
    n-decane 2.31
    butyronitrile 57.19
    3,7-dimethyl-1-octanol 14.48
    1-chlorooctane 8.82
    1-chlorotetradecane 4.53
    n-nonane 2.15
    undecane 1.93
    tert-butylcyclohexane 2.74
    cyclooctane 1.76
    cyclopentanol 35.58
    tetrahydropyran 81.15
    tert-amyl methyl ether 32.62
    2,5,8-trioxanonane 85.97
    1-hexene 9.95
    2-isopropoxyethanol 34.31
    2,2,2-trifluoroethanol 31.68
    methyl butyrate 46.35

    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