Pyrrolo(1,2-a)pyrazine

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  • Identifiers

    CAS number
    274-45-3

    Molecular formula
    C7H6N2

    SMILES
    C1=CN2C=CN=CC2=C1

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Nutty 71.34%
    Roasted 66.89%
    Burnt 61.73%
    Musty 59.23%
    Coffee 51.31%
    Earthy 46.87%
    Hazelnut 42.22%
    Sweet 34.3%
    Meaty 34.14%
    Potato 33.12%

     

    Flavor
    Nutty 60.99%
    Roasted 52.37%
    Coffee 48.48%
    Corn 42.25%
    Musty 40.92%
    Nut 39.35%
    Peanut 35.41%
    Hazelnut 34.34%
    Rubber 33.58%
    Bitter 32.88%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.4

    pKa est.
    5.16 (weak acid)

    Molecular weight
    118.14 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    256°C

    Flash point

    • 104.01 ˚C est.

  • Synonyms

    • Pyrrolo[1,2-a]pyrazine
    • 274-45-3
    • Pyrrolo(1,2-a)pyrazine
    • XV62N5YA33
    • DTXSID00451997
    • RefChem:1097663
    • DTXCID30402816
    • 155-757-0
    • 7-Azaindolizine
    • MFCD01605573
    • 3a,6-Diazaindene
    • 2'-deoxy-5-fluoro-uridine
    • UNII-XV62N5YA33
    • SCHEMBL65595
    • SCHEMBL974327
    • 2'-Deoxy-5'-fluoro-Uridine
    • 5-FLUORO DEOXY URIDINE
    • orb3023499
    • SCHEMBL2360091
    • SCHEMBL3260865
    • SCHEMBL3263139
    • SCHEMBL3263451
    • SCHEMBL3265925
    • CHEBI:193615
    • AKOS006275889
    • CS-W006655
    • DS-11786
    • SY114231
    • F093620
    • 274-45-3

  • Applications

    Pyrrolo[1,2-a]pyrazine (CAS 274-45-3) is primarily used as a synthetic building block in heterocyclic chemistry. In practice it is employed as an intermediate in pharmaceutical development and as a precursor in the synthesis of agrochemicals. The fused nitrogen-containing ring serves as a scaffold for diverse derivatives, and the compound is evaluated as a precursor for dyes, pigments, and materials for organic electronics. Additionally, it can act as a ligand or structural motif in catalysis and as a component in advanced polymers or coatings formulations. Its use is context-dependent and subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 264.27
    methanol 372.14
    isopropanol 163.21
    water 22.37
    ethyl acetate 105.19
    n-propanol 238.09
    acetone 135.07
    n-butanol 181.72
    acetonitrile 164.28
    DMF 312.33
    toluene 70.92
    isobutanol 176.87
    1,4-dioxane 150.18
    methyl acetate 98.61
    THF 324.39
    2-butanone 146.88
    n-pentanol 160.36
    sec-butanol 171.25
    n-hexane 13.7
    ethylene glycol 112.08
    NMP 239.93
    cyclohexane 15.39
    DMSO 298.08
    n-butyl acetate 42.1
    n-octanol 20.61
    chloroform 264.5
    n-propyl acetate 40.11
    acetic acid 233.37
    dichloromethane 300.69
    cyclohexanone 140.51
    propylene glycol 92.04
    isopropyl acetate 41.33
    DMAc 237.9
    2-ethoxyethanol 203.21
    isopentanol 122.17
    n-heptane 12.3
    ethyl formate 86.77
    1,2-dichloroethane 180.58
    n-hexanol 75.93
    2-methoxyethanol 293.73
    isobutyl acetate 25.42
    tetrachloromethane 49.28
    n-pentyl acetate 35.29
    transcutol 327.5
    n-heptanol 30.67
    ethylbenzene 17.72
    MIBK 45.84
    2-propoxyethanol 118.95
    tert-butanol 108.67
    MTBE 70.7
    2-butoxyethanol 64.82
    propionic acid 151.76
    o-xylene 35.18
    formic acid 278.7
    diethyl ether 151.7
    m-xylene 34.03
    p-xylene 24.22
    chlorobenzene 76.14
    dimethyl carbonate 39.31
    n-octane 3.8
    formamide 341.19
    cyclopentanone 189.92
    2-pentanone 104.15
    anisole 51.09
    cyclopentyl methyl ether 140.76
    gamma-butyrolactone 197.82
    1-methoxy-2-propanol 154.22
    pyridine 249.95
    3-pentanone 97.34
    furfural 187.21
    n-dodecane 2.59
    diethylene glycol 114.56
    diisopropyl ether 26.58
    tert-amyl alcohol 106.19
    acetylacetone 63.25
    n-hexadecane 2.77
    acetophenone 46.24
    methyl propionate 103.32
    isopentyl acetate 33.05
    trichloroethylene 257.85
    n-nonanol 20.12
    cyclohexanol 117.25
    benzyl alcohol 73.46
    2-ethylhexanol 33.6
    isooctanol 24.82
    dipropyl ether 51.58
    1,2-dichlorobenzene 51.84
    ethyl lactate 27.08
    propylene carbonate 72.78
    n-methylformamide 269.47
    2-pentanol 102.73
    n-pentane 19.9
    1-propoxy-2-propanol 69.11
    1-methoxy-2-propyl acetate 44.25
    2-(2-methoxypropoxy) propanol 57.94
    mesitylene 16.13
    ε-caprolactone 108.1
    p-cymene 13.82
    epichlorohydrin 249.83
    1,1,1-trichloroethane 93.36
    2-aminoethanol 210.28
    morpholine-4-carbaldehyde 192.04
    sulfolane 172.6
    2,2,4-trimethylpentane 7.07
    2-methyltetrahydrofuran 250.86
    n-hexyl acetate 32.03
    isooctane 4.35
    2-(2-butoxyethoxy)ethanol 81.9
    sec-butyl acetate 26.81
    tert-butyl acetate 30.15
    decalin 6.04
    glycerin 130.57
    diglyme 142.15
    acrylic acid 143.73
    isopropyl myristate 14.75
    n-butyric acid 163.13
    acetyl acetate 37.95
    di(2-ethylhexyl) phthalate 19.85
    ethyl propionate 38.96
    nitromethane 249.62
    1,2-diethoxyethane 102.03
    benzonitrile 74.9
    trioctyl phosphate 12.92
    1-bromopropane 125.3
    gamma-valerolactone 183.38
    n-decanol 15.79
    triethyl phosphate 19.45
    4-methyl-2-pentanol 42.13
    propionitrile 142.63
    vinylene carbonate 73.45
    1,1,2-trichlorotrifluoroethane 145.43
    DMS 32.23
    cumene 14.76
    2-octanol 18.33
    2-hexanone 55.62
    octyl acetate 19.67
    limonene 22.01
    1,2-dimethoxyethane 149.21
    ethyl orthosilicate 20.2
    tributyl phosphate 17.34
    diacetone alcohol 50.91
    N,N-dimethylaniline 38.24
    acrylonitrile 158.47
    aniline 137.38
    1,3-propanediol 196.9
    bromobenzene 61.55
    dibromomethane 181.54
    1,1,2,2-tetrachloroethane 169.61
    2-methyl-cyclohexyl acetate 25.63
    tetrabutyl urea 24.19
    diisobutyl methanol 18.31
    2-phenylethanol 46.4
    styrene 26.73
    dioctyl adipate 24.05
    dimethyl sulfate 62.65
    ethyl butyrate 35.06
    methyl lactate 53.81
    butyl lactate 28.13
    diethyl carbonate 23.23
    propanediol butyl ether 43.44
    triethyl orthoformate 27.74
    p-tert-butyltoluene 12.19
    methyl 4-tert-butylbenzoate 33.5
    morpholine 254.13
    tert-butylamine 74.33
    n-dodecanol 12.93
    dimethoxymethane 143.36
    ethylene carbonate 59.27
    cyrene 57.71
    2-ethoxyethyl acetate 60.17
    2-ethylhexyl acetate 28.36
    1,2,4-trichlorobenzene 64.75
    4-methylpyridine 169.89
    dibutyl ether 32.81
    2,6-dimethyl-4-heptanol 18.31
    DEF 133.42
    dimethyl isosorbide 76.61
    tetrachloroethylene 145.84
    eugenol 42.02
    triacetin 35.23
    span 80 39.86
    1,4-butanediol 115.52
    1,1-dichloroethane 140.49
    2-methyl-1-pentanol 108.73
    methyl formate 127.02
    2-methyl-1-butanol 144.85
    n-decane 4.04
    butyronitrile 133.87
    3,7-dimethyl-1-octanol 24.51
    1-chlorooctane 13.8
    1-chlorotetradecane 6.41
    n-nonane 3.91
    undecane 3.11
    tert-butylcyclohexane 5.52
    cyclooctane 5.67
    cyclopentanol 164.42
    tetrahydropyran 187.93
    tert-amyl methyl ether 60.91
    2,5,8-trioxanonane 106.03
    1-hexene 43.73
    2-isopropoxyethanol 108.49
    2,2,2-trifluoroethanol 97.64
    methyl butyrate 48.97

    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