4-Phenylpyridine

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  • Identifiers

    CAS number
    939-23-1

    Molecular formula
    C11H9N

    SMILES
    C1=CC=C(C=C1)C2=CC=NC=C2

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sweet 69.53%
    Herbal 58.73%
    Earthy 53.06%
    Animal 52.41%
    Green 50.71%
    Tobacco 45.61%
    Musty 43.75%
    Fishy 41.16%
    Pungent 38.77%
    Metallic 37.21%

     

    Flavor
    Sweet 47.64%
    Herbal 45.69%
    Green 42.97%
    Balsam 42.82%
    Rose 37.79%
    Floral 37.39%
    Pungent 36.51%
    Geranium 36.23%
    Anise 35.48%
    Honey 33.15%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    5.37 (weak acid)

    Molecular weight
    155.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Melting point expt.

    • 77 - 78 °C

    Boiling point

    • 281.00 °C. @ 760.00 mm Hg

    Flash point

    • 121.78 ˚C est.

  • Synonyms

    • 4-PHENYLPYRIDINE
    • 939-23-1
    • p-Phenylpyridine
    • 452KD9YCG7
    • NSC-70375
    • NSC-77935
    • DTXSID5022140
    • RefChem:526451
    • DTXCID602140
    • 213-357-4
    • Pyridine, 4-phenyl-
    • MFCD00006420
    • 4-Phenyl-pyridine
    • Pyridine, phenyl-
    • 4-Aza-1,1'-biphenyl
    • CHEMBL109074
    • 4-Azabiphenyl
    • 52642-16-7
    • EINECS 213-357-4
    • NSC 70375
    • NSC 77935
    • BRN 0110490
    • UNII-452KD9YCG7
    • phenyl-pyridine
    • NSC 70375; NSC 77935; p-Phenylpyridine; gamma-Phenylpyridine
    • 4-Phenylpyridin
    • ?-Phenylpyridine
    • 5SH
    • 4-Phenylpyridine, 97%
    • SCHEMBL38689
    • SCHEMBL38690
    • 5-20-07-00549 (Beilstein Handbook Reference)
    • MLS002206281
    • SCHEMBL121708
    • SCHEMBL124353
    • SCHEMBL297361
    • orb3030341
    • SCHEMBL2339291
    • SCHEMBL5526641
    • CHEBI:173662
    • HMS2268O18
    • NSC70375
    • NSC77935
    • BDBM50121955
    • SBB008518
    • AKOS005255288
    • AC-5099
    • CS-W018018
    • EBC-612766
    • NCGC00247406-01
    • DS-14724
    • SMR000112292
    • SY021647
    • DB-031355
    • NS00039765
    • P0162
    • ST50824514
    • EN300-49165
    • 39P231
    • F047011
    • Q27258800
    • InChI=1/C11H9N/c1-2-4-10(5-3-1)11-6-8-12-9-7-11/h1-9
    • 939-23-1

  • Applications

    4-Phenylpyridine is commonly used as a monodentate ligand in coordination chemistry and homogeneous catalysis, where its pyridine nitrogen coordinates to transition metals to form complexes that support a range of catalytic processes. It also serves as a versatile synthetic building block and intermediate for the preparation of diverse heteroaromatic compounds bearing pyridine motifs. In materials science, the compound may be employed as a precursor or scaffold for organic electronic materials, including potential use as a component in hole-transport materials or other pyridine-containing architectures for OLEDs and related optoelectronic devices. Additionally, 4-phenylpyridine can function as a coordinating additive in polymers or coatings to introduce pyridine sites that influence processing and material properties.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 584.35
    methanol 512.22
    isopropanol 279.02
    water 0.27
    ethyl acetate 1526.33
    n-propanol 466.02
    acetone 2247.93
    n-butanol 285.6
    acetonitrile 1469.97
    DMF 1632.43
    toluene 867.77
    isobutanol 243.27
    1,4-dioxane 2052.35
    methyl acetate 1377.5
    THF 1871.01
    2-butanone 1532.0
    n-pentanol 212.49
    sec-butanol 248.23
    n-hexane 27.72
    ethylene glycol 157.64
    NMP 1366.85
    cyclohexane 54.61
    DMSO 3879.89
    n-butyl acetate 661.79
    n-octanol 76.55
    chloroform 1863.29
    n-propyl acetate 585.12
    acetic acid 554.29
    dichloromethane 3453.94
    cyclohexanone 1477.75
    propylene glycol 154.9
    isopropyl acetate 446.96
    DMAc 944.68
    2-ethoxyethanol 443.91
    isopentanol 202.18
    n-heptane 41.79
    ethyl formate 778.48
    1,2-dichloroethane 2883.96
    n-hexanol 231.66
    2-methoxyethanol 908.6
    isobutyl acetate 241.0
    tetrachloromethane 268.06
    n-pentyl acetate 223.12
    transcutol 1977.88
    n-heptanol 81.26
    ethylbenzene 261.71
    MIBK 322.94
    2-propoxyethanol 467.86
    tert-butanol 262.86
    MTBE 344.93
    2-butoxyethanol 193.66
    propionic acid 541.87
    o-xylene 320.37
    formic acid 176.23
    diethyl ether 912.67
    m-xylene 326.65
    p-xylene 251.38
    chlorobenzene 951.61
    dimethyl carbonate 488.57
    n-octane 11.19
    formamide 623.83
    cyclopentanone 1962.31
    2-pentanone 1009.18
    anisole 607.06
    cyclopentyl methyl ether 910.12
    gamma-butyrolactone 2250.35
    1-methoxy-2-propanol 467.72
    pyridine 2444.41
    3-pentanone 812.74
    furfural 1551.47
    n-dodecane 8.33
    diethylene glycol 328.01
    diisopropyl ether 131.1
    tert-amyl alcohol 203.33
    acetylacetone 985.8
    n-hexadecane 9.78
    acetophenone 449.82
    methyl propionate 1216.4
    isopentyl acetate 412.9
    trichloroethylene 3759.82
    n-nonanol 67.01
    cyclohexanol 309.77
    benzyl alcohol 351.64
    2-ethylhexanol 152.3
    isooctanol 66.29
    dipropyl ether 385.81
    1,2-dichlorobenzene 636.97
    ethyl lactate 136.14
    propylene carbonate 845.07
    n-methylformamide 1223.37
    2-pentanol 173.91
    n-pentane 27.64
    1-propoxy-2-propanol 313.73
    1-methoxy-2-propyl acetate 487.09
    2-(2-methoxypropoxy) propanol 198.14
    mesitylene 144.25
    ε-caprolactone 1178.08
    p-cymene 113.82
    epichlorohydrin 2974.61
    1,1,1-trichloroethane 1281.0
    2-aminoethanol 266.35
    morpholine-4-carbaldehyde 1303.34
    sulfolane 2289.44
    2,2,4-trimethylpentane 15.38
    2-methyltetrahydrofuran 1497.31
    n-hexyl acetate 279.26
    isooctane 12.05
    2-(2-butoxyethoxy)ethanol 318.46
    sec-butyl acetate 278.5
    tert-butyl acetate 331.51
    decalin 37.19
    glycerin 241.79
    diglyme 845.83
    acrylic acid 506.96
    isopropyl myristate 90.37
    n-butyric acid 605.9
    acetyl acetate 534.19
    di(2-ethylhexyl) phthalate 83.98
    ethyl propionate 496.49
    nitromethane 2229.84
    1,2-diethoxyethane 728.23
    benzonitrile 578.07
    trioctyl phosphate 55.74
    1-bromopropane 855.05
    gamma-valerolactone 1939.47
    n-decanol 52.09
    triethyl phosphate 126.05
    4-methyl-2-pentanol 80.73
    propionitrile 839.21
    vinylene carbonate 798.97
    1,1,2-trichlorotrifluoroethane 981.08
    DMS 383.63
    cumene 115.17
    2-octanol 47.79
    2-hexanone 496.08
    octyl acetate 116.8
    limonene 169.32
    1,2-dimethoxyethane 955.3
    ethyl orthosilicate 115.95
    tributyl phosphate 84.08
    diacetone alcohol 333.67
    N,N-dimethylaniline 243.81
    acrylonitrile 1205.12
    aniline 896.89
    1,3-propanediol 326.45
    bromobenzene 1065.96
    dibromomethane 1773.88
    1,1,2,2-tetrachloroethane 2170.1
    2-methyl-cyclohexyl acetate 199.56
    tetrabutyl urea 117.7
    diisobutyl methanol 84.75
    2-phenylethanol 276.87
    styrene 419.94
    dioctyl adipate 143.04
    dimethyl sulfate 681.38
    ethyl butyrate 430.6
    methyl lactate 238.03
    butyl lactate 143.28
    diethyl carbonate 251.11
    propanediol butyl ether 158.72
    triethyl orthoformate 208.59
    p-tert-butyltoluene 94.93
    methyl 4-tert-butylbenzoate 200.14
    morpholine 1947.11
    tert-butylamine 145.0
    n-dodecanol 42.51
    dimethoxymethane 1145.29
    ethylene carbonate 670.33
    cyrene 215.86
    2-ethoxyethyl acetate 419.81
    2-ethylhexyl acetate 323.66
    1,2,4-trichlorobenzene 739.29
    4-methylpyridine 1827.5
    dibutyl ether 224.93
    2,6-dimethyl-4-heptanol 84.75
    DEF 1074.15
    dimethyl isosorbide 429.04
    tetrachloroethylene 1424.26
    eugenol 190.97
    triacetin 266.57
    span 80 146.2
    1,4-butanediol 115.65
    1,1-dichloroethane 1608.69
    2-methyl-1-pentanol 165.75
    methyl formate 1045.99
    2-methyl-1-butanol 215.35
    n-decane 13.69
    butyronitrile 591.61
    3,7-dimethyl-1-octanol 92.82
    1-chlorooctane 88.95
    1-chlorotetradecane 31.81
    n-nonane 13.78
    undecane 10.35
    tert-butylcyclohexane 28.92
    cyclooctane 23.08
    cyclopentanol 402.73
    tetrahydropyran 1431.62
    tert-amyl methyl ether 251.64
    2,5,8-trioxanonane 426.13
    1-hexene 157.73
    2-isopropoxyethanol 253.41
    2,2,2-trifluoroethanol 209.04
    methyl butyrate 654.6

    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