Pyrrolo[1,2-b]pyridazine

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  • Identifiers

    CAS number
    274-55-5

    Molecular formula
    C7H6N2

    SMILES
    C1=CC2=CC=CN2N=C1

    Safety labels

  • Odor profile

    Fragrance
    Nutty 71.19%
    Roasted 68.53%
    Burnt 62.85%
    Musty 58.3%
    Coffee 52.73%
    Earthy 46.71%
    Hazelnut 42.01%
    Meaty 36.78%
    Potato 33.77%
    Almond 30.59%

     

    Flavor
    Nutty 65.26%
    Roasted 59.63%
    Coffee 51.57%
    Corn 45.92%
    Nut 42.09%
    Musty 41.02%
    Peanut 38.02%
    Hazelnut 37.27%
    Rubber 35.03%
    Cocoa 34.08%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.1

    pKa est.
    4.06 (weak acid)

    Molecular weight
    118.14 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    285°C

    Flash point

    • 90.02 ˚C est.

  • Synonyms

    • Pyrrolo[1,2-b]pyridazine
    • 274-55-5
    • SCHEMBL63061
    • SCHEMBL128872
    • SCHEMBL128873
    • SCHEMBL7266780
    • SCHEMBL12520527
    • SCHEMBL12520627
    • SCHEMBL12520877
    • DTXSID00599626
    • MFCD18449631
    • AKOS006371482
    • SY343057
    • 274-55-5

  • Applications

    Pyrrolo[1,2-b]pyridazine (CAS 274-55-5) is primarily used as an advanced building block and synthetic intermediate in pharmaceutical research, enabling the preparation of more complex nitrogen-containing heterocycles. In medicinal chemistry, it is used to explore heterocyclic frameworks and optimize structure–activity relationships. The compound can serve as a starting material for the synthesis of various fused heterocycles and is often evaluated in lead-discovery strategies and library creation. In addition, it may be used as a platform for materials science research to support the development of functionalized derivatives that could be studied for performance in electronics or coatings, although such uses are exploratory. Its use is typically restricted to laboratory-scale synthesis and subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 403.82
    methanol 638.88
    isopropanol 259.8
    water 23.19
    ethyl acetate 295.27
    n-propanol 312.94
    acetone 504.18
    n-butanol 275.18
    acetonitrile 444.22
    DMF 525.48
    toluene 149.06
    isobutanol 260.17
    1,4-dioxane 372.69
    methyl acetate 246.24
    THF 719.73
    2-butanone 331.55
    n-pentanol 284.08
    sec-butanol 247.1
    n-hexane 64.61
    ethylene glycol 166.3
    NMP 386.37
    cyclohexane 52.65
    DMSO 557.87
    n-butyl acetate 108.03
    n-octanol 57.38
    chloroform 530.73
    n-propyl acetate 130.26
    acetic acid 357.88
    dichloromethane 724.52
    cyclohexanone 303.75
    propylene glycol 133.86
    isopropyl acetate 119.23
    DMAc 353.74
    2-ethoxyethanol 393.07
    isopentanol 229.72
    n-heptane 33.3
    ethyl formate 198.43
    1,2-dichloroethane 411.96
    n-hexanol 142.36
    2-methoxyethanol 468.54
    isobutyl acetate 81.46
    tetrachloromethane 104.67
    n-pentyl acetate 84.07
    transcutol 946.73
    n-heptanol 56.41
    ethylbenzene 63.45
    MIBK 132.17
    2-propoxyethanol 246.58
    tert-butanol 192.72
    MTBE 177.77
    2-butoxyethanol 117.85
    propionic acid 198.7
    o-xylene 75.63
    formic acid 294.25
    diethyl ether 402.48
    m-xylene 81.66
    p-xylene 77.75
    chlorobenzene 173.25
    dimethyl carbonate 116.16
    n-octane 12.83
    formamide 372.85
    cyclopentanone 410.86
    2-pentanone 290.0
    anisole 157.73
    cyclopentyl methyl ether 307.3
    gamma-butyrolactone 386.53
    1-methoxy-2-propanol 288.5
    pyridine 404.13
    3-pentanone 239.51
    furfural 361.59
    n-dodecane 9.69
    diethylene glycol 230.47
    diisopropyl ether 85.64
    tert-amyl alcohol 183.62
    acetylacetone 228.47
    n-hexadecane 10.5
    acetophenone 126.62
    methyl propionate 246.91
    isopentyl acetate 88.25
    trichloroethylene 547.38
    n-nonanol 53.36
    cyclohexanol 182.81
    benzyl alcohol 149.42
    2-ethylhexanol 76.59
    isooctanol 49.87
    dipropyl ether 132.7
    1,2-dichlorobenzene 127.95
    ethyl lactate 70.07
    propylene carbonate 156.11
    n-methylformamide 355.84
    2-pentanol 193.99
    n-pentane 67.62
    1-propoxy-2-propanol 140.61
    1-methoxy-2-propyl acetate 110.87
    2-(2-methoxypropoxy) propanol 143.01
    mesitylene 45.43
    ε-caprolactone 212.44
    p-cymene 33.63
    epichlorohydrin 533.29
    1,1,1-trichloroethane 225.68
    2-aminoethanol 250.03
    morpholine-4-carbaldehyde 380.62
    sulfolane 343.48
    2,2,4-trimethylpentane 21.15
    2-methyltetrahydrofuran 453.83
    n-hexyl acetate 100.09
    isooctane 14.21
    2-(2-butoxyethoxy)ethanol 208.63
    sec-butyl acetate 88.28
    tert-butyl acetate 95.1
    decalin 23.62
    glycerin 170.05
    diglyme 345.94
    acrylic acid 188.95
    isopropyl myristate 46.33
    n-butyric acid 227.6
    acetyl acetate 124.69
    di(2-ethylhexyl) phthalate 49.18
    ethyl propionate 128.35
    nitromethane 476.13
    1,2-diethoxyethane 281.79
    benzonitrile 169.1
    trioctyl phosphate 32.78
    1-bromopropane 283.26
    gamma-valerolactone 375.74
    n-decanol 42.84
    triethyl phosphate 48.61
    4-methyl-2-pentanol 95.98
    propionitrile 272.7
    vinylene carbonate 151.62
    1,1,2-trichlorotrifluoroethane 221.99
    DMS 115.29
    cumene 45.15
    2-octanol 41.55
    2-hexanone 168.54
    octyl acetate 55.97
    limonene 49.85
    1,2-dimethoxyethane 433.23
    ethyl orthosilicate 48.83
    tributyl phosphate 49.32
    diacetone alcohol 124.28
    N,N-dimethylaniline 100.5
    acrylonitrile 292.29
    aniline 201.35
    1,3-propanediol 262.2
    bromobenzene 161.25
    dibromomethane 451.42
    1,1,2,2-tetrachloroethane 329.88
    2-methyl-cyclohexyl acetate 68.01
    tetrabutyl urea 60.79
    diisobutyl methanol 43.4
    2-phenylethanol 93.09
    styrene 93.04
    dioctyl adipate 66.92
    dimethyl sulfate 143.08
    ethyl butyrate 94.12
    methyl lactate 98.15
    butyl lactate 64.53
    diethyl carbonate 65.44
    propanediol butyl ether 114.15
    triethyl orthoformate 67.07
    p-tert-butyltoluene 29.38
    methyl 4-tert-butylbenzoate 76.93
    morpholine 429.32
    tert-butylamine 138.83
    n-dodecanol 35.98
    dimethoxymethane 405.83
    ethylene carbonate 129.58
    cyrene 124.85
    2-ethoxyethyl acetate 144.22
    2-ethylhexyl acetate 70.98
    1,2,4-trichlorobenzene 146.81
    4-methylpyridine 304.38
    dibutyl ether 106.49
    2,6-dimethyl-4-heptanol 43.4
    DEF 275.18
    dimethyl isosorbide 194.77
    tetrachloroethylene 270.35
    eugenol 99.96
    triacetin 110.7
    span 80 93.05
    1,4-butanediol 184.0
    1,1-dichloroethane 345.09
    2-methyl-1-pentanol 217.22
    methyl formate 268.34
    2-methyl-1-butanol 240.9
    n-decane 14.19
    butyronitrile 280.92
    3,7-dimethyl-1-octanol 65.66
    1-chlorooctane 43.58
    1-chlorotetradecane 21.25
    n-nonane 14.44
    undecane 11.29
    tert-butylcyclohexane 19.87
    cyclooctane 21.53
    cyclopentanol 234.86
    tetrahydropyran 372.35
    tert-amyl methyl ether 144.69
    2,5,8-trioxanonane 257.28
    1-hexene 155.91
    2-isopropoxyethanol 237.92
    2,2,2-trifluoroethanol 126.81
    methyl butyrate 157.15

    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