N-(4-bromo-2-phenylphenyl)benzamide

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  • Identifiers

    CAS number
    7511-41-3

    Molecular formula
    C19H14BrNO

    SMILES
    C1=CC=C(C=C1)C2=C(C=CC(=C2)Br)NC(=O)C3=CC=CC=C3

    Safety labels

  • Odor profile

    Fragrance
    Fruity 60.64%
    Grape 47.96%
    Floral 42.17%
    Neroli 29.12%
    Orange 26.83%
    Animal 26.61%
    Honey 26.56%
    Fatty 25.42%
    Cooked 25.12%
    Cheesy 24.89%

     

    Flavor
    Bitter 64.43%
    Odorless 28.59%
    Fruity 26.44%
    Mild 26.18%
    Nitrile 21.57%
    Orange flower 21.11%
    Very strong 21.0%
    Indole 20.7%
    Moth ball 20.59%
    Orange blossom 20.48%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.4

    pKa est.
    7.37 (neutral)

    Molecular weight
    352.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    574°C

    Flash point

    • 204.77 ˚C est.

  • Synonyms

    • 7511-41-3
    • NSC51000
    • DTXSID70996608
    • NSC-51000
    • N-(5-Bromo[1,1'-biphenyl]-2-yl)benzenecarboximidic acid
    • 7511-41-3

  • Applications

    N-(4-bromo-2-phenylphenyl)benzamide (CAS 7511-41-3) is primarily used as a synthetic intermediate in organic chemistry; its brominated biaryl framework enables participation in cross-coupling reactions, notably Suzuki–Miyaura, to access a range of diaryl or polyaryl amide-containing compounds. It is commonly employed as a building block in pharmaceutical and agrochemical development for constructing biaryl amide architectures, and can serve as a precursor in dye or pigment synthesis and in materials science for conjugated polymers and related electronic materials. In research and development settings, it also functions as a reference substrate for reaction optimization, process development, and method scouting. Its use is typically as an intermediate, with applications governed by applicable safety regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3.68
    methanol 2.82
    isopropanol 2.25
    water 0.0
    ethyl acetate 16.69
    n-propanol 4.15
    acetone 22.77
    n-butanol 4.01
    acetonitrile 4.68
    DMF 137.34
    toluene 10.77
    isobutanol 2.88
    1,4-dioxane 26.45
    methyl acetate 18.39
    THF 113.16
    2-butanone 30.81
    n-pentanol 5.9
    sec-butanol 3.63
    n-hexane 0.14
    ethylene glycol 0.85
    NMP 88.71
    cyclohexane 0.09
    DMSO 43.25
    n-butyl acetate 19.4
    n-octanol 4.55
    chloroform 51.16
    n-propyl acetate 18.49
    acetic acid 12.02
    dichloromethane 49.18
    cyclohexanone 43.96
    propylene glycol 2.63
    isopropyl acetate 14.05
    DMAc 193.9
    2-ethoxyethanol 16.27
    isopentanol 4.65
    n-heptane 0.5
    ethyl formate 11.53
    1,2-dichloroethane 32.51
    n-hexanol 6.95
    2-methoxyethanol 19.4
    isobutyl acetate 13.78
    tetrachloromethane 1.48
    n-pentyl acetate 15.42
    transcutol 60.6
    n-heptanol 6.3
    ethylbenzene 7.87
    MIBK 16.31
    2-propoxyethanol 22.87
    tert-butanol 3.49
    MTBE 6.24
    2-butoxyethanol 18.77
    propionic acid 8.69
    o-xylene 6.87
    formic acid 3.18
    diethyl ether 5.39
    m-xylene 6.77
    p-xylene 8.8
    chlorobenzene 16.37
    dimethyl carbonate 22.74
    n-octane 0.31
    formamide 8.34
    cyclopentanone 84.86
    2-pentanone 22.92
    anisole 23.23
    cyclopentyl methyl ether 19.42
    gamma-butyrolactone 80.58
    1-methoxy-2-propanol 19.2
    pyridine 48.43
    3-pentanone 19.51
    furfural 72.78
    n-dodecane 0.47
    diethylene glycol 12.9
    diisopropyl ether 2.26
    tert-amyl alcohol 4.8
    acetylacetone 38.98
    n-hexadecane 0.56
    acetophenone 28.67
    methyl propionate 24.08
    isopentyl acetate 18.77
    trichloroethylene 104.98
    n-nonanol 5.75
    cyclohexanol 4.73
    benzyl alcohol 17.46
    2-ethylhexanol 7.71
    isooctanol 6.45
    dipropyl ether 11.27
    1,2-dichlorobenzene 17.79
    ethyl lactate 14.27
    propylene carbonate 35.83
    n-methylformamide 20.41
    2-pentanol 3.21
    n-pentane 0.08
    1-propoxy-2-propanol 20.31
    1-methoxy-2-propyl acetate 34.03
    2-(2-methoxypropoxy) propanol 25.08
    mesitylene 3.37
    ε-caprolactone 37.07
    p-cymene 6.3
    epichlorohydrin 96.38
    1,1,1-trichloroethane 15.62
    2-aminoethanol 2.92
    morpholine-4-carbaldehyde 76.1
    sulfolane 86.42
    2,2,4-trimethylpentane 0.31
    2-methyltetrahydrofuran 26.9
    n-hexyl acetate 14.71
    isooctane 0.22
    2-(2-butoxyethoxy)ethanol 27.28
    sec-butyl acetate 14.78
    tert-butyl acetate 17.06
    decalin 0.53
    glycerin 5.49
    diglyme 57.68
    acrylic acid 11.19
    isopropyl myristate 9.04
    n-butyric acid 13.24
    acetyl acetate 14.08
    di(2-ethylhexyl) phthalate 11.94
    ethyl propionate 17.6
    nitromethane 36.13
    1,2-diethoxyethane 22.67
    benzonitrile 19.55
    trioctyl phosphate 7.47
    1-bromopropane 9.33
    gamma-valerolactone 100.68
    n-decanol 4.69
    triethyl phosphate 12.88
    4-methyl-2-pentanol 3.53
    propionitrile 6.97
    vinylene carbonate 34.36
    1,1,2-trichlorotrifluoroethane 58.52
    DMS 23.75
    cumene 5.37
    2-octanol 4.64
    2-hexanone 22.83
    octyl acetate 10.42
    limonene 7.47
    1,2-dimethoxyethane 43.37
    ethyl orthosilicate 12.01
    tributyl phosphate 9.18
    diacetone alcohol 21.67
    N,N-dimethylaniline 17.96
    acrylonitrile 13.38
    aniline 14.16
    1,3-propanediol 4.85
    bromobenzene 15.9
    dibromomethane 21.05
    1,1,2,2-tetrachloroethane 64.32
    2-methyl-cyclohexyl acetate 18.62
    tetrabutyl urea 15.63
    diisobutyl methanol 5.58
    2-phenylethanol 17.61
    styrene 9.79
    dioctyl adipate 16.19
    dimethyl sulfate 45.83
    ethyl butyrate 18.14
    methyl lactate 18.93
    butyl lactate 17.42
    diethyl carbonate 12.93
    propanediol butyl ether 13.95
    triethyl orthoformate 16.35
    p-tert-butyltoluene 5.82
    methyl 4-tert-butylbenzoate 26.75
    morpholine 31.78
    tert-butylamine 1.93
    n-dodecanol 3.79
    dimethoxymethane 53.34
    ethylene carbonate 22.14
    cyrene 33.33
    2-ethoxyethyl acetate 26.67
    2-ethylhexyl acetate 15.92
    1,2,4-trichlorobenzene 25.94
    4-methylpyridine 37.72
    dibutyl ether 8.55
    2,6-dimethyl-4-heptanol 5.58
    DEF 37.31
    dimethyl isosorbide 53.2
    tetrachloroethylene 29.03
    eugenol 28.61
    triacetin 24.69
    span 80 20.29
    1,4-butanediol 2.72
    1,1-dichloroethane 16.89
    2-methyl-1-pentanol 7.31
    methyl formate 17.84
    2-methyl-1-butanol 4.51
    n-decane 0.7
    butyronitrile 8.04
    3,7-dimethyl-1-octanol 5.91
    1-chlorooctane 4.06
    1-chlorotetradecane 2.11
    n-nonane 0.48
    undecane 0.57
    tert-butylcyclohexane 0.6
    cyclooctane 0.06
    cyclopentanol 7.22
    tetrahydropyran 17.39
    tert-amyl methyl ether 7.98
    2,5,8-trioxanonane 43.23
    1-hexene 2.06
    2-isopropoxyethanol 13.57
    2,2,2-trifluoroethanol 5.98
    methyl butyrate 22.93

    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