2-Fluoro-4-iodoaniline

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  • Identifiers

    CAS number
    29632-74-4

    Molecular formula
    C6H5FIN

    SMILES
    C1=CC(=C(C=C1I)F)N

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 36.0%
    Meaty 35.16%
    Burnt 33.9%
    Phenolic 31.17%
    Animal 29.27%
    Smoky 27.06%
    Cheesy 24.75%
    Ripe 24.31%
    Roasted 23.87%
    Fishy 23.75%

     

    Flavor
    Bitter 31.68%
    Mild 29.67%
    Meaty 26.51%
    Odorless 23.61%
    Roasted 21.17%
    Very strong 20.78%
    Nitrile 20.41%
    Indole 20.4%
    Penetrating 20.39%
    Scallion 20.08%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.0

    pKa est.
    5.15 (weak acid)

    Molecular weight
    237.01 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    267°C

    Flash point

    • 113.79 ˚C est.

  • Synonyms

    • 2-Fluoro-4-iodoaniline
    • 29632-74-4
    • Benzenamine, 2-fluoro-4-iodo-
    • NSC-146507
    • UT398XXP8Y
    • DTXSID50952101
    • RefChem:472360
    • DTXCID801380201
    • 608-384-7
    • MFCD00011738
    • 2-Fluoro-4-iodo-phenylamine
    • 4-iodo-2-fluoroaniline
    • 2-fluoro-4-iodobenzenamine
    • Trametinib impurity 9
    • 2-fluoro-4-iodo-aniline
    • 2-fluoro-4-iodophenylamine
    • EN300-86082
    • 2-Fluoro-4-iodobenzenamine; 2-Fluoro-4-iodobenzenamine; 2-Fluoro-4-iodophenylamine; 4-Iodo-2-fluoroaniline; NSC 146507
    • NSC146507
    • 2-Fluoro4-iodoaniline
    • 2-fluoro-4-iodaniline
    • 4-iodo-2 fluoroaniline
    • 2-flouro-4-iodo-anilin
    • 2-fluoro-4-iodo aniline
    • 4-iodo-2-fluoro aniline
    • 2-fluoro-4-iodobenzeneamine
    • 2-fluoro-4-iodo-benzenamine
    • SCHEMBL188879
    • 2-fluoro-4-iodo-phenyl amine
    • SCHEMBL1527714
    • 2-Fluoro-4-iodoaniline, 98%
    • (2-fluoro-4-iodo-phenyl)-amine
    • BDBM626223
    • SBB098703
    • AKOS000111236
    • AC-2529
    • CS-W002069
    • NSC 146507
    • PS-7632
    • SY001841
    • DB-014106
    • DB-228055
    • F0417
    • NS00120842
    • ST51026363
    • 632F744
    • F010682
    • F0001-0917
    • InChI=1/C6H5FIN/c7-5-3-4(8)1-2-6(5)9/h1-3H,9H
    • 29632-74-4

  • Applications

    2-Fluoro-4-iodoaniline (CAS 29632-74-4) is considered an important building block in the synthesis of intermediates for pharmaceuticals and agrochemicals, typically used in cross-coupling reactions to assemble biaryl and heterocyclic frameworks. It also serves as a precursor for dye and pigment synthesis and as a starting point for polymeric and plastic materials. Owing to its iodinated aryl amine structure, it is commonly evaluated as a linking unit for organic electronic materials and for coatings and inks applications. These uses are primarily at the research and development scale and depend on local regulatory and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 32.09
    methanol 22.5
    isopropanol 27.75
    water 0.72
    ethyl acetate 33.36
    n-propanol 31.77
    acetone 86.41
    n-butanol 27.83
    acetonitrile 31.09
    DMF 95.3
    toluene 14.01
    isobutanol 22.6
    1,4-dioxane 67.07
    methyl acetate 58.72
    THF 128.32
    2-butanone 77.34
    n-pentanol 34.95
    sec-butanol 32.94
    n-hexane 2.33
    ethylene glycol 13.82
    NMP 86.76
    cyclohexane 2.09
    DMSO 62.96
    n-butyl acetate 40.82
    n-octanol 24.52
    chloroform 28.45
    n-propyl acetate 46.39
    acetic acid 39.51
    dichloromethane 28.21
    cyclohexanone 59.88
    propylene glycol 17.01
    isopropyl acetate 27.91
    DMAc 123.98
    2-ethoxyethanol 78.71
    isopentanol 27.71
    n-heptane 5.0
    ethyl formate 30.08
    1,2-dichloroethane 20.24
    n-hexanol 32.8
    2-methoxyethanol 69.18
    isobutyl acetate 29.91
    tetrachloromethane 5.29
    n-pentyl acetate 37.75
    transcutol 143.59
    n-heptanol 28.66
    ethylbenzene 13.53
    MIBK 37.22
    2-propoxyethanol 67.71
    tert-butanol 35.34
    MTBE 40.72
    2-butoxyethanol 59.05
    propionic acid 25.7
    o-xylene 14.99
    formic acid 24.8
    diethyl ether 32.97
    m-xylene 13.82
    p-xylene 17.33
    chlorobenzene 12.21
    dimethyl carbonate 22.15
    n-octane 2.97
    formamide 50.75
    cyclopentanone 88.82
    2-pentanone 49.91
    anisole 46.73
    cyclopentyl methyl ether 43.81
    gamma-butyrolactone 79.6
    1-methoxy-2-propanol 56.03
    pyridine 55.5
    3-pentanone 39.8
    furfural 81.83
    n-dodecane 2.65
    diethylene glycol 52.73
    diisopropyl ether 13.29
    tert-amyl alcohol 39.44
    acetylacetone 56.51
    n-hexadecane 2.87
    acetophenone 50.31
    methyl propionate 34.55
    isopentyl acetate 38.04
    trichloroethylene 46.3
    n-nonanol 24.26
    cyclohexanol 25.14
    benzyl alcohol 38.95
    2-ethylhexanol 25.61
    isooctanol 26.04
    dipropyl ether 29.76
    1,2-dichlorobenzene 12.39
    ethyl lactate 30.01
    propylene carbonate 37.64
    n-methylformamide 46.92
    2-pentanol 25.62
    n-pentane 2.88
    1-propoxy-2-propanol 53.59
    1-methoxy-2-propyl acetate 48.61
    2-(2-methoxypropoxy) propanol 59.03
    mesitylene 9.51
    ε-caprolactone 55.6
    p-cymene 15.43
    epichlorohydrin 79.98
    1,1,1-trichloroethane 18.12
    2-aminoethanol 24.25
    morpholine-4-carbaldehyde 108.46
    sulfolane 69.5
    2,2,4-trimethylpentane 2.73
    2-methyltetrahydrofuran 71.21
    n-hexyl acetate 38.45
    isooctane 2.21
    2-(2-butoxyethoxy)ethanol 73.68
    sec-butyl acetate 32.34
    tert-butyl acetate 37.42
    decalin 2.46
    glycerin 24.45
    diglyme 123.42
    acrylic acid 26.5
    isopropyl myristate 21.92
    n-butyric acid 26.5
    acetyl acetate 22.77
    di(2-ethylhexyl) phthalate 22.17
    ethyl propionate 32.69
    nitromethane 90.76
    1,2-diethoxyethane 62.69
    benzonitrile 29.86
    trioctyl phosphate 17.96
    1-bromopropane 14.29
    gamma-valerolactone 110.36
    n-decanol 20.13
    triethyl phosphate 19.75
    4-methyl-2-pentanol 20.4
    propionitrile 24.56
    vinylene carbonate 33.05
    1,1,2-trichlorotrifluoroethane 63.25
    DMS 30.91
    cumene 12.09
    2-octanol 23.53
    2-hexanone 60.26
    octyl acetate 26.77
    limonene 19.84
    1,2-dimethoxyethane 115.89
    ethyl orthosilicate 20.23
    tributyl phosphate 18.65
    diacetone alcohol 54.31
    N,N-dimethylaniline 40.14
    acrylonitrile 32.73
    aniline 24.93
    1,3-propanediol 29.19
    bromobenzene 9.18
    dibromomethane 17.16
    1,1,2,2-tetrachloroethane 31.91
    2-methyl-cyclohexyl acetate 35.39
    tetrabutyl urea 30.28
    diisobutyl methanol 19.58
    2-phenylethanol 38.99
    styrene 13.72
    dioctyl adipate 31.7
    dimethyl sulfate 32.3
    ethyl butyrate 36.42
    methyl lactate 27.82
    butyl lactate 33.87
    diethyl carbonate 22.99
    propanediol butyl ether 49.22
    triethyl orthoformate 28.42
    p-tert-butyltoluene 15.3
    methyl 4-tert-butylbenzoate 45.67
    morpholine 76.15
    tert-butylamine 21.91
    n-dodecanol 16.3
    dimethoxymethane 62.4
    ethylene carbonate 23.86
    cyrene 64.85
    2-ethoxyethyl acetate 53.42
    2-ethylhexyl acetate 30.95
    1,2,4-trichlorobenzene 18.77
    4-methylpyridine 47.43
    dibutyl ether 26.9
    2,6-dimethyl-4-heptanol 19.58
    DEF 51.45
    dimethyl isosorbide 87.75
    tetrachloroethylene 21.68
    eugenol 54.9
    triacetin 47.14
    span 80 45.98
    1,4-butanediol 22.75
    1,1-dichloroethane 19.47
    2-methyl-1-pentanol 34.51
    methyl formate 42.77
    2-methyl-1-butanol 27.27
    n-decane 4.02
    butyronitrile 24.98
    3,7-dimethyl-1-octanol 24.69
    1-chlorooctane 12.44
    1-chlorotetradecane 6.34
    n-nonane 3.67
    undecane 3.2
    tert-butylcyclohexane 3.12
    cyclooctane 1.55
    cyclopentanol 33.46
    tetrahydropyran 47.0
    tert-amyl methyl ether 37.7
    2,5,8-trioxanonane 89.47
    1-hexene 10.45
    2-isopropoxyethanol 61.34
    2,2,2-trifluoroethanol 28.2
    methyl butyrate 44.14

    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