Carbazole-3-carboxaldehyde

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  • Identifiers

    CAS number
    51761-07-0

    Molecular formula
    C13H9NO

    SMILES
    C1=CC=C2C(=C1)C3=C(N2)C=CC(=C3)C=O

    Safety labels

  • Odor profile

    Fragrance
    Floral 64.69%
    Fruity 51.01%
    Neroli 42.51%
    Sweet 40.14%
    Bitter 37.19%
    Grape 36.92%
    Powdery 35.46%
    Animal 34.14%
    Orange 32.1%
    Almond 29.3%

     

    Flavor
    Bitter 89.01%
    Very strong 22.85%
    Indole 22.57%
    Moth ball 22.13%
    Nitrile 21.87%
    Naphthelene 21.69%
    Animal 20.75%
    Orange flower 20.24%
    Almond shell 20.16%
    Red hots 20.14%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.2

    pKa est.
    6.43 (neutral)

    Molecular weight
    195.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    447°C

    Melting point expt.

    • 158 - 159 °C

    Flash point

    • 213.71 ˚C est.

  • Synonyms

    • 9H-Carbazole-3-carbaldehyde
    • 51761-07-0
    • QWC6E2F7Z5
    • DTXSID70333418
    • carbazole-3-carboxaldehyde
    • RefChem:1081185
    • DTXCID80284508
    • 9H-Carbazole-3-carboxaldehyde
    • 3-Formyl-9H-carbazole
    • 3-Formylcarbazole
    • MFCD09743119
    • CHEMBL1172392
    • UNII-QWC6E2F7Z5
    • 2-Formylcarbazole (obsol.)
    • orb1680525
    • SCHEMBL2775335
    • SCHEMBL5157660
    • SCHEMBL13387769
    • SCHEMBL28053722
    • SCHEMBL29823607
    • CHEBI:172436
    • BDBM50322592
    • STL367222
    • AKOS000113618
    • AB51127
    • HY-W106860
    • BS-53703
    • PD183431
    • DB-360080
    • CS-0160451
    • E76707
    • 51761-07-0

  • Applications

    Carbazole-3-carboxaldehyde (CAS 51761-07-0) serves as a versatile building block for carbazole-based materials used in optoelectronics, dyes, and polymers; it is widely employed as a starting point to synthesize carbazole dyes and fluorescent compounds for coatings, inks, and display-related applications, and as a precursor for carbazole-containing polymers and polyimides that provide insulating or conductive layers in devices; the aldehyde also participates in Schiff base chemistry to form metal-ligand complexes and crosslinked networks for sensor and catalytic materials; overall, it is commonly evaluated as a foundational building block in research and formulation work aimed at fluorescent materials, advanced coatings, and electronic materials.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 8.48
    methanol 8.13
    isopropanol 4.78
    water 0.07
    ethyl acetate 22.74
    n-propanol 6.97
    acetone 29.03
    n-butanol 6.07
    acetonitrile 6.79
    DMF 55.07
    toluene 3.35
    isobutanol 5.25
    1,4-dioxane 25.77
    methyl acetate 26.33
    THF 67.02
    2-butanone 31.83
    n-pentanol 9.1
    sec-butanol 6.23
    n-hexane 0.13
    ethylene glycol 6.37
    NMP 60.61
    cyclohexane 0.07
    DMSO 54.57
    n-butyl acetate 25.84
    n-octanol 5.1
    chloroform 7.01
    n-propyl acetate 30.77
    acetic acid 19.85
    dichloromethane 13.54
    cyclohexanone 28.67
    propylene glycol 4.95
    isopropyl acetate 18.81
    DMAc 86.59
    2-ethoxyethanol 38.11
    isopentanol 9.46
    n-heptane 0.31
    ethyl formate 13.49
    1,2-dichloroethane 15.19
    n-hexanol 10.65
    2-methoxyethanol 38.09
    isobutyl acetate 20.91
    tetrachloromethane 1.54
    n-pentyl acetate 19.85
    transcutol 208.11
    n-heptanol 8.24
    ethylbenzene 5.36
    MIBK 19.56
    2-propoxyethanol 38.81
    tert-butanol 8.39
    MTBE 8.36
    2-butoxyethanol 28.01
    propionic acid 15.03
    o-xylene 4.29
    formic acid 14.44
    diethyl ether 6.48
    m-xylene 4.08
    p-xylene 7.28
    chlorobenzene 7.18
    dimethyl carbonate 20.89
    n-octane 0.22
    formamide 38.49
    cyclopentanone 55.34
    2-pentanone 20.27
    anisole 27.29
    cyclopentyl methyl ether 16.11
    gamma-butyrolactone 79.28
    1-methoxy-2-propanol 26.94
    pyridine 28.24
    3-pentanone 16.53
    furfural 74.01
    n-dodecane 0.28
    diethylene glycol 39.53
    diisopropyl ether 3.65
    tert-amyl alcohol 9.95
    acetylacetone 42.98
    n-hexadecane 0.31
    acetophenone 37.37
    methyl propionate 22.74
    isopentyl acetate 26.82
    trichloroethylene 36.27
    n-nonanol 6.17
    cyclohexanol 5.31
    benzyl alcohol 24.01
    2-ethylhexanol 9.39
    isooctanol 8.72
    dipropyl ether 8.85
    1,2-dichlorobenzene 11.41
    ethyl lactate 22.78
    propylene carbonate 40.64
    n-methylformamide 24.66
    2-pentanol 5.2
    n-pentane 0.07
    1-propoxy-2-propanol 27.6
    1-methoxy-2-propyl acetate 40.17
    2-(2-methoxypropoxy) propanol 40.35
    mesitylene 3.07
    ε-caprolactone 38.2
    p-cymene 6.03
    epichlorohydrin 80.52
    1,1,1-trichloroethane 7.32
    2-aminoethanol 9.96
    morpholine-4-carbaldehyde 71.83
    sulfolane 80.85
    2,2,4-trimethylpentane 0.32
    2-methyltetrahydrofuran 27.77
    n-hexyl acetate 20.77
    isooctane 0.27
    2-(2-butoxyethoxy)ethanol 48.52
    sec-butyl acetate 23.29
    tert-butyl acetate 24.1
    decalin 0.53
    glycerin 15.41
    diglyme 98.08
    acrylic acid 19.7
    isopropyl myristate 9.86
    n-butyric acid 16.43
    acetyl acetate 19.0
    di(2-ethylhexyl) phthalate 14.48
    ethyl propionate 28.18
    nitromethane 51.92
    1,2-diethoxyethane 32.69
    benzonitrile 18.99
    trioctyl phosphate 9.04
    1-bromopropane 3.23
    gamma-valerolactone 74.52
    n-decanol 5.02
    triethyl phosphate 17.33
    4-methyl-2-pentanol 6.74
    propionitrile 7.59
    vinylene carbonate 32.09
    1,1,2-trichlorotrifluoroethane 52.16
    DMS 36.09
    cumene 5.88
    2-octanol 5.25
    2-hexanone 26.98
    octyl acetate 11.79
    limonene 6.1
    1,2-dimethoxyethane 63.28
    ethyl orthosilicate 15.23
    tributyl phosphate 11.9
    diacetone alcohol 35.82
    N,N-dimethylaniline 20.0
    acrylonitrile 15.37
    aniline 10.9
    1,3-propanediol 13.4
    bromobenzene 5.57
    dibromomethane 4.65
    1,1,2,2-tetrachloroethane 22.83
    2-methyl-cyclohexyl acetate 23.6
    tetrabutyl urea 16.24
    diisobutyl methanol 6.77
    2-phenylethanol 24.97
    styrene 5.65
    dioctyl adipate 17.77
    dimethyl sulfate 42.3
    ethyl butyrate 22.07
    methyl lactate 20.26
    butyl lactate 22.61
    diethyl carbonate 19.49
    propanediol butyl ether 26.23
    triethyl orthoformate 17.93
    p-tert-butyltoluene 5.02
    methyl 4-tert-butylbenzoate 29.88
    morpholine 29.37
    tert-butylamine 3.68
    n-dodecanol 4.01
    dimethoxymethane 39.1
    ethylene carbonate 22.72
    cyrene 43.78
    2-ethoxyethyl acetate 41.56
    2-ethylhexyl acetate 20.95
    1,2,4-trichlorobenzene 17.65
    4-methylpyridine 22.22
    dibutyl ether 7.57
    2,6-dimethyl-4-heptanol 6.77
    DEF 26.89
    dimethyl isosorbide 61.6
    tetrachloroethylene 17.31
    eugenol 35.87
    triacetin 39.08
    span 80 24.38
    1,4-butanediol 8.81
    1,1-dichloroethane 5.36
    2-methyl-1-pentanol 13.07
    methyl formate 21.77
    2-methyl-1-butanol 8.35
    n-decane 0.36
    butyronitrile 6.98
    3,7-dimethyl-1-octanol 7.82
    1-chlorooctane 2.43
    1-chlorotetradecane 1.33
    n-nonane 0.25
    undecane 0.31
    tert-butylcyclohexane 0.63
    cyclooctane 0.07
    cyclopentanol 7.42
    tetrahydropyran 11.12
    tert-amyl methyl ether 9.37
    2,5,8-trioxanonane 63.25
    1-hexene 1.38
    2-isopropoxyethanol 33.03
    2,2,2-trifluoroethanol 17.0
    methyl butyrate 33.18

    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