2,3-Dichloropyrazine

Overview IFRA Request a quote

  • Identifiers

    CAS number
    4858-85-9

    Molecular formula
    C4H2Cl2N2

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Nutty 56.64%
    Roasted 51.82%
    Odorless 40.39%
    Cocoa 38.93%
    Burnt 38.87%
    Musty 35.37%
    Meaty 34.21%
    Hazelnut 33.81%
    Earthy 31.73%
    Popcorn 31.41%

     

    Flavor
    Bitter 55.95%
    Roasted 40.62%
    Nutty 37.38%
    Coffee 29.35%
    Odorless 28.27%
    Roast 27.46%
    Cocoa 26.4%
    Chocolate 25.58%
    Musty 24.62%
    Corn 23.81%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.7

    pKa est.
    3.73 (weak acid)

    Molecular weight
    148.98 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    219°C

    Flash point

    • 109.7 ˚C est.

  • Synonyms

    • 2,3-Dichloropyrazine
    • 4858-85-9
    • EINECS 225-460-1
    • MLCNOCRGSBCAGH-UHFFFAOYSA-
    • DTXSID10197556
    • RefChem:81618
    • DTXCID70120047
    • 225-460-1
    • InChI=1/C4H2Cl2N2/c5-3-4(6)8-2-1-7-3/h1-2H
    • MLCNOCRGSBCAGH-UHFFFAOYSA-N
    • Pyrazine, 2,3-dichloro-
    • MFCD00040964
    • dichloropyrazine
    • 5,6-dichloropyrazine
    • 2,3-dichloro-pyrazine
    • dichloro pyrazine
    • 2,3 dichloropyrazine
    • 2.3-dichloropyrazine
    • 2,3-dichloro pyrazine
    • 2,3-Dichloropyrazine, 95%
    • SCHEMBL103808
    • SCHEMBL789875
    • orb3030297
    • SBB080632
    • STL195586
    • AKOS005259647
    • CS-W016328
    • PB15620
    • PS-8931
    • AC-16400
    • SY004668
    • DB-005829
    • D3061
    • NS00031810
    • ST50824151
    • EN300-56062
    • P10041
    • 858D859
    • F002757
    • F0001-1272
    • Z850504018
    • 4858-85-9

  • Applications

    2,3-Dichloropyrazine is primarily used as an organic synthesis intermediate, serving as a reactive building block for the preparation of pyrazine- and other heteroaromatic compounds in chemical, pharmaceutical, and agrochemical development. It is commonly evaluated as a starting material to access pyrazine-based intermediates that enable the synthesis of agrochemicals and pharmaceutical APIs, and it may also function as a precursor in the production of specialty chemicals such as dyes, pigments, and materials for coatings or inks. In addition, it can be employed in materials science as a building block for conjugated polymers or other electronic or optoelectronic precursors. Use is governed by local regulations and formulation limits due to the reactive chlorinated nature of the compound.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 16.07
    methanol 16.72
    isopropanol 12.57
    water 0.19
    ethyl acetate 73.62
    n-propanol 15.99
    acetone 106.22
    n-butanol 16.23
    acetonitrile 69.57
    DMF 186.33
    toluene 34.45
    isobutanol 12.96
    1,4-dioxane 95.53
    methyl acetate 75.66
    THF 164.88
    2-butanone 83.25
    n-pentanol 16.4
    sec-butanol 15.34
    n-hexane 7.66
    ethylene glycol 6.33
    NMP 299.97
    cyclohexane 15.77
    DMSO 252.8
    n-butyl acetate 79.92
    n-octanol 11.78
    chloroform 111.91
    n-propyl acetate 52.77
    acetic acid 37.24
    dichloromethane 149.41
    cyclohexanone 117.02
    propylene glycol 4.85
    isopropyl acetate 44.2
    DMAc 201.07
    2-ethoxyethanol 41.12
    isopentanol 16.41
    n-heptane 14.08
    ethyl formate 60.04
    1,2-dichloroethane 114.2
    n-hexanol 20.84
    2-methoxyethanol 56.88
    isobutyl acetate 27.12
    tetrachloromethane 26.41
    n-pentyl acetate 42.26
    transcutol 106.48
    n-heptanol 12.31
    ethylbenzene 21.07
    MIBK 36.42
    2-propoxyethanol 50.37
    tert-butanol 18.66
    MTBE 36.81
    2-butoxyethanol 30.6
    propionic acid 23.82
    o-xylene 29.59
    formic acid 20.23
    diethyl ether 52.53
    m-xylene 23.77
    p-xylene 29.56
    chlorobenzene 54.76
    dimethyl carbonate 38.03
    n-octane 5.14
    formamide 50.49
    cyclopentanone 155.49
    2-pentanone 64.88
    anisole 48.54
    cyclopentyl methyl ether 76.14
    gamma-butyrolactone 182.03
    1-methoxy-2-propanol 35.9
    pyridine 123.71
    3-pentanone 69.37
    furfural 197.52
    n-dodecane 3.36
    diethylene glycol 34.83
    diisopropyl ether 17.78
    tert-amyl alcohol 21.57
    acetylacetone 89.23
    n-hexadecane 3.91
    acetophenone 62.11
    methyl propionate 62.78
    isopentyl acetate 58.05
    trichloroethylene 192.15
    n-nonanol 12.19
    cyclohexanol 25.12
    benzyl alcohol 32.77
    2-ethylhexanol 22.74
    isooctanol 11.29
    dipropyl ether 51.17
    1,2-dichlorobenzene 59.69
    ethyl lactate 21.97
    propylene carbonate 85.34
    n-methylformamide 72.02
    2-pentanol 13.88
    n-pentane 7.87
    1-propoxy-2-propanol 43.46
    1-methoxy-2-propyl acetate 69.33
    2-(2-methoxypropoxy) propanol 40.07
    mesitylene 16.81
    ε-caprolactone 98.54
    p-cymene 25.14
    epichlorohydrin 168.66
    1,1,1-trichloroethane 81.57
    2-aminoethanol 10.38
    morpholine-4-carbaldehyde 187.1
    sulfolane 254.5
    2,2,4-trimethylpentane 5.05
    2-methyltetrahydrofuran 110.12
    n-hexyl acetate 39.05
    isooctane 3.01
    2-(2-butoxyethoxy)ethanol 43.6
    sec-butyl acetate 33.94
    tert-butyl acetate 43.69
    decalin 7.31
    glycerin 10.91
    diglyme 113.63
    acrylic acid 28.14
    isopropyl myristate 19.57
    n-butyric acid 34.87
    acetyl acetate 49.6
    di(2-ethylhexyl) phthalate 19.45
    ethyl propionate 50.67
    nitromethane 160.21
    1,2-diethoxyethane 73.63
    benzonitrile 64.12
    trioctyl phosphate 14.61
    1-bromopropane 56.11
    gamma-valerolactone 188.47
    n-decanol 10.31
    triethyl phosphate 35.98
    4-methyl-2-pentanol 10.13
    propionitrile 46.96
    vinylene carbonate 79.03
    1,1,2-trichlorotrifluoroethane 103.43
    DMS 48.72
    cumene 15.51
    2-octanol 10.35
    2-hexanone 51.62
    octyl acetate 23.97
    limonene 36.68
    1,2-dimethoxyethane 115.12
    ethyl orthosilicate 34.4
    tributyl phosphate 21.25
    diacetone alcohol 40.82
    N,N-dimethylaniline 44.31
    acrylonitrile 70.45
    aniline 37.97
    1,3-propanediol 16.49
    bromobenzene 57.54
    dibromomethane 99.45
    1,1,2,2-tetrachloroethane 126.47
    2-methyl-cyclohexyl acetate 43.77
    tetrabutyl urea 34.89
    diisobutyl methanol 17.01
    2-phenylethanol 36.39
    styrene 26.66
    dioctyl adipate 32.41
    dimethyl sulfate 89.94
    ethyl butyrate 65.87
    methyl lactate 26.58
    butyl lactate 26.93
    diethyl carbonate 47.41
    propanediol butyl ether 19.48
    triethyl orthoformate 49.11
    p-tert-butyltoluene 22.44
    methyl 4-tert-butylbenzoate 44.14
    morpholine 96.97
    tert-butylamine 14.24
    n-dodecanol 8.98
    dimethoxymethane 86.02
    ethylene carbonate 63.27
    cyrene 50.9
    2-ethoxyethyl acetate 64.8
    2-ethylhexyl acetate 53.15
    1,2,4-trichlorobenzene 70.35
    4-methylpyridine 110.0
    dibutyl ether 32.37
    2,6-dimethyl-4-heptanol 17.01
    DEF 109.69
    dimethyl isosorbide 97.86
    tetrachloroethylene 95.2
    eugenol 44.03
    triacetin 45.97
    span 80 27.24
    1,4-butanediol 9.65
    1,1-dichloroethane 69.82
    2-methyl-1-pentanol 17.56
    methyl formate 70.69
    2-methyl-1-butanol 16.28
    n-decane 5.12
    butyronitrile 47.76
    3,7-dimethyl-1-octanol 15.97
    1-chlorooctane 15.51
    1-chlorotetradecane 7.78
    n-nonane 5.15
    undecane 4.07
    tert-butylcyclohexane 5.58
    cyclooctane 6.43
    cyclopentanol 33.58
    tetrahydropyran 80.93
    tert-amyl methyl ether 37.87
    2,5,8-trioxanonane 75.94
    1-hexene 19.37
    2-isopropoxyethanol 29.05
    2,2,2-trifluoroethanol 25.74
    methyl butyrate 66.13

    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