9-Bromophenanthrene

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  • Identifiers

    CAS number
    573-17-1

    Molecular formula
    C14H9Br

    SMILES
    C1=CC=C2C(=C1)C=C(C3=CC=CC=C23)Br

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Floral 69.64%
    Animal 42.03%
    Fruity 39.63%
    Orange 32.36%
    Neroli 32.21%
    Grape 32.18%
    Sweet 30.76%
    Rose 30.68%
    Phenolic 29.82%
    Woody 25.15%

     

    Flavor
    Bitter 45.47%
    Animal 28.38%
    Fecal 24.33%
    Very strong 23.85%
    Indole 23.27%
    Moth ball 22.05%
    Naphthelene 21.84%
    Tar 21.12%
    Nitrile 21.01%
    Tarry 20.78%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.1

    pKa est.
    6.38 (neutral)

    Molecular weight
    257.12 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    405°C

    Flash point

    • 180.42 ˚C est.

  • Synonyms

    • 9-Bromophenanthrene
    • PHENANTHRENE, 9-BROMO-
    • EINECS 209-351-6
    • NSC 400708
    • BRN 1869927
    • DTXSID4049321
    • AI3-03652
    • DTXCID9029277
    • 4-05-00-02303 (Beilstein Handbook Reference)
    • RefChem:107780
    • 209-351-6
    • RSQXKVWKJVUZDG-UHFFFAOYSA-N
    • 573-17-1
    • 9-Phenanthryl bromide
    • 9-Phenathryl bromide
    • MFCD00001174
    • 9-Bromo-phenanthrene
    • N4XAW27Z35
    • NSC-400708
    • 9-Phenanthryl Bromide; NSC 400708
    • 9-Bromphenanthren
    • 9-bromophenathrene
    • 9-bromanylphenanthrene
    • 9-Bromophenanthrene, 96%
    • UNII-N4XAW27Z35
    • SCHEMBL184768
    • CHEMBL3188808
    • Tox21_202933
    • MSK001294
    • NSC400708
    • SBB062693
    • AKOS005137885
    • AC-1653
    • CS-W012551
    • SB66961
    • NCGC00260479-01
    • CAS-573-17-1
    • DS-18399
    • SY033186
    • DB-053033
    • B0838
    • NS00033685
    • ST50826707
    • EN300-243226
    • 573B171
    • A831390
    • F237121
    • 573-17-1

  • Applications

    9-Bromophenanthrene, CAS 573-17-1, is primarily used as a chemical intermediate in the synthesis of polycyclic aromatic compounds. It commonly serves as a cross-coupling partner in Pd-catalyzed reactions (e.g., Suzuki, Sonogashira) to access more complex PAHs or extended aromatic cores for electronic materials and polymers. It also functions as a building block for dyes and pigments in coatings and inks, and as a precursor for organic semiconductor formulations such as OLED-related materials. In research and development, 9-Bromophenanthrene is used as a scaffold to explore the reactivity and properties of PAH precursors, supporting materials science and polymer chemistry. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 10.47
    methanol 4.86
    isopropanol 8.19
    water 0.02
    ethyl acetate 88.9
    n-propanol 12.34
    acetone 105.85
    n-butanol 11.89
    acetonitrile 18.49
    DMF 184.94
    toluene 133.13
    isobutanol 10.43
    1,4-dioxane 248.55
    methyl acetate 86.48
    THF 426.42
    2-butanone 89.94
    n-pentanol 16.27
    sec-butanol 10.58
    n-hexane 18.35
    ethylene glycol 2.54
    NMP 266.76
    cyclohexane 27.33
    DMSO 100.2
    n-butyl acetate 116.07
    n-octanol 31.65
    chloroform 185.12
    n-propyl acetate 98.71
    acetic acid 18.4
    dichloromethane 255.21
    cyclohexanone 218.9
    propylene glycol 2.9
    isopropyl acetate 73.87
    DMAc 150.87
    2-ethoxyethanol 30.83
    isopentanol 13.59
    n-heptane 32.63
    ethyl formate 47.45
    1,2-dichloroethane 211.09
    n-hexanol 32.07
    2-methoxyethanol 30.74
    isobutyl acetate 86.29
    tetrachloromethane 44.19
    n-pentyl acetate 100.61
    transcutol 100.33
    n-heptanol 27.66
    ethylbenzene 105.29
    MIBK 68.52
    2-propoxyethanol 53.33
    tert-butanol 14.58
    MTBE 43.13
    2-butoxyethanol 43.31
    propionic acid 19.8
    o-xylene 88.45
    formic acid 2.15
    diethyl ether 64.75
    m-xylene 94.01
    p-xylene 124.72
    chlorobenzene 125.83
    dimethyl carbonate 81.15
    n-octane 23.61
    formamide 8.81
    cyclopentanone 328.07
    2-pentanone 88.88
    anisole 150.43
    cyclopentyl methyl ether 179.24
    gamma-butyrolactone 304.17
    1-methoxy-2-propanol 26.73
    pyridine 208.14
    3-pentanone 96.3
    furfural 207.49
    n-dodecane 14.47
    diethylene glycol 24.6
    diisopropyl ether 39.64
    tert-amyl alcohol 15.83
    acetylacetone 171.77
    n-hexadecane 17.24
    acetophenone 150.14
    methyl propionate 91.01
    isopentyl acetate 102.77
    trichloroethylene 357.67
    n-nonanol 33.29
    cyclohexanol 27.55
    benzyl alcohol 57.65
    2-ethylhexanol 42.09
    isooctanol 28.36
    dipropyl ether 100.82
    1,2-dichlorobenzene 127.76
    ethyl lactate 31.75
    propylene carbonate 141.8
    n-methylformamide 35.36
    2-pentanol 11.77
    n-pentane 9.81
    1-propoxy-2-propanol 47.38
    1-methoxy-2-propyl acetate 112.21
    2-(2-methoxypropoxy) propanol 52.11
    mesitylene 67.86
    ε-caprolactone 178.3
    p-cymene 64.46
    epichlorohydrin 289.51
    1,1,1-trichloroethane 145.03
    2-aminoethanol 5.12
    morpholine-4-carbaldehyde 227.2
    sulfolane 284.2
    2,2,4-trimethylpentane 7.4
    2-methyltetrahydrofuran 206.27
    n-hexyl acetate 108.57
    isooctane 8.13
    2-(2-butoxyethoxy)ethanol 60.93
    sec-butyl acetate 77.53
    tert-butyl acetate 97.52
    decalin 29.93
    glycerin 5.09
    diglyme 161.22
    acrylic acid 20.46
    isopropyl myristate 60.0
    n-butyric acid 29.64
    acetyl acetate 87.29
    di(2-ethylhexyl) phthalate 49.06
    ethyl propionate 96.28
    nitromethane 64.53
    1,2-diethoxyethane 124.24
    benzonitrile 86.28
    trioctyl phosphate 36.46
    1-bromopropane 88.79
    gamma-valerolactone 304.59
    n-decanol 28.14
    triethyl phosphate 58.84
    4-methyl-2-pentanol 12.64
    propionitrile 24.49
    vinylene carbonate 128.92
    1,1,2-trichlorotrifluoroethane 89.29
    DMS 138.56
    cumene 66.46
    2-octanol 27.24
    2-hexanone 103.12
    octyl acetate 66.01
    limonene 80.1
    1,2-dimethoxyethane 144.79
    ethyl orthosilicate 56.75
    tributyl phosphate 43.75
    diacetone alcohol 62.09
    N,N-dimethylaniline 106.77
    acrylonitrile 34.68
    aniline 60.49
    1,3-propanediol 8.56
    bromobenzene 175.36
    dibromomethane 160.43
    1,1,2,2-tetrachloroethane 211.59
    2-methyl-cyclohexyl acetate 99.63
    tetrabutyl urea 68.95
    diisobutyl methanol 34.06
    2-phenylethanol 76.09
    styrene 113.87
    dioctyl adipate 79.26
    dimethyl sulfate 131.73
    ethyl butyrate 102.57
    methyl lactate 27.99
    butyl lactate 46.53
    diethyl carbonate 68.89
    propanediol butyl ether 27.23
    triethyl orthoformate 77.96
    p-tert-butyltoluene 60.5
    methyl 4-tert-butylbenzoate 97.55
    morpholine 155.61
    tert-butylamine 11.64
    n-dodecanol 25.04
    dimethoxymethane 139.67
    ethylene carbonate 103.78
    cyrene 83.16
    2-ethoxyethyl acetate 127.68
    2-ethylhexyl acetate 105.13
    1,2,4-trichlorobenzene 149.9
    4-methylpyridine 170.73
    dibutyl ether 85.37
    2,6-dimethyl-4-heptanol 34.06
    DEF 129.35
    dimethyl isosorbide 168.59
    tetrachloroethylene 161.9
    eugenol 82.62
    triacetin 103.38
    span 80 50.81
    1,4-butanediol 6.18
    1,1-dichloroethane 104.23
    2-methyl-1-pentanol 19.97
    methyl formate 48.13
    2-methyl-1-butanol 12.66
    n-decane 24.08
    butyronitrile 27.35
    3,7-dimethyl-1-octanol 33.0
    1-chlorooctane 57.05
    1-chlorotetradecane 29.05
    n-nonane 24.97
    undecane 18.13
    tert-butylcyclohexane 23.1
    cyclooctane 20.4
    cyclopentanol 38.19
    tetrahydropyran 174.71
    tert-amyl methyl ether 44.92
    2,5,8-trioxanonane 111.46
    1-hexene 42.95
    2-isopropoxyethanol 33.86
    2,2,2-trifluoroethanol 12.44
    methyl butyrate 117.0

    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