3-Amino-2,4-dichlorophenol hydrochloride

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  • Identifiers

    CAS number
    61693-43-4

    Molecular formula
    C6H6Cl3NO

    SMILES
    C1=CC(=C(C(=C1O)Cl)N)Cl.Cl

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Odorless 49.09%
    Phenolic 43.48%
    Burnt 34.4%
    Smoky 28.68%
    Animal 21.43%
    Medicinal 20.72%
    Meaty 19.95%
    Savory 18.91%
    Spicy 18.12%
    Bitter 17.87%

     

    Flavor
    Bitter 59.8%
    Odorless 33.36%
    Mild 31.51%
    Sweet-like 20.94%
    Very strong 20.88%
    Scallion 20.52%
    Nitrile 20.36%
    Indole 20.31%
    Rotten 20.22%
    Orange flower 19.78%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    6.31 (neutral)

    Molecular weight
    214.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    279°C

    Flash point

    • 141.28 ˚C est.

  • Synonyms

    • 2,4-Dichloro-3-aminophenol hydrochloride
    • 61693-43-4
    • 3-Amino-2,4-dichlorophenol hydrochloride
    • 3-Amino-2,4-dichlorophenol HCl
    • UNII-S5N19I6VR4
    • S5N19I6VR4
    • Phenol, 3-amino-2,4-dichloro-, hydrochloride
    • Phenol, 3-amino-2,4-dichloro-, hydrochloride (1:1)
    • 3-Amino-2,4-dichlorophenol HCl [INCI]
    • DTXSID80210685
    • RefChem:92862
    • 3-amino-2,4-dichlorophenol HCI
    • DTXCID10133176
    • 612-192-9
    • MFCD04112751
    • 3-amino-2,4-dichlorophenol;hydrochloride
    • C6H6Cl3NO
    • 2,4-Dichloro-3-aminophenol, HCl
    • 2,4-Dichloro-3-aminophenolhydrochloride
    • SCHEMBL374537
    • SCHEMBL30818252
    • AKOS015890147
    • 3-AMINO-2,4-DICHLOROPHENOLHCL
    • AC-8154
    • DS-2412
    • SB78931
    • SY108401
    • 3-amino-2,4-dichloro-phenol;hydrochloride
    • DB-017526
    • CS-0157184
    • EN300-7374781
    • 693A434
    • F225589
    • 3-Amino-2,4-dichlorophenol--hydrogen chloride (1/1)
    • Q27288679
    • Z1741980693
    • 61693-43-4

  • Applications

    3-Amino-2,4-dichlorophenol hydrochloride (CAS 61693-43-4) is primarily used as an organic synthesis building block, notably for the manufacture of azo dyes and pigment intermediates for coatings, inks, and textiles; it also serves as an intermediate in the production of pharmaceutical and agrochemical active ingredients; in polymer and plastics formulations it can function as a functionalized aryl building block to enable coupling or crosslinking; it is evaluated for use in fragrance research as a potential odorant precursor due to its phenolic and amino functionalities; and it may be encountered in specialized cleaning formulations as a reactive phenol component under controlled processing.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 24.71
    methanol 27.3
    isopropanol 19.61
    water 0.42
    ethyl acetate 15.3
    n-propanol 21.23
    acetone 37.32
    n-butanol 18.0
    acetonitrile 4.72
    DMF 77.05
    toluene 1.04
    isobutanol 13.08
    1,4-dioxane 29.44
    methyl acetate 16.47
    THF 154.71
    2-butanone 29.09
    n-pentanol 17.66
    sec-butanol 16.49
    n-hexane 0.27
    ethylene glycol 11.85
    NMP 60.63
    cyclohexane 0.16
    DMSO 68.61
    n-butyl acetate 21.52
    n-octanol 9.25
    chloroform 1.95
    n-propyl acetate 16.3
    acetic acid 26.26
    dichloromethane 1.53
    cyclohexanone 26.79
    propylene glycol 11.76
    isopropyl acetate 15.28
    DMAc 79.93
    2-ethoxyethanol 53.63
    isopentanol 16.27
    n-heptane 1.31
    ethyl formate 14.07
    1,2-dichloroethane 2.27
    n-hexanol 19.02
    2-methoxyethanol 75.18
    isobutyl acetate 10.22
    tetrachloromethane 0.94
    n-pentyl acetate 18.04
    transcutol 96.97
    n-heptanol 14.15
    ethylbenzene 0.96
    MIBK 20.54
    2-propoxyethanol 61.11
    tert-butanol 31.98
    MTBE 18.85
    2-butoxyethanol 37.95
    propionic acid 14.48
    o-xylene 1.6
    formic acid 25.38
    diethyl ether 10.97
    m-xylene 1.94
    p-xylene 1.58
    chlorobenzene 1.4
    dimethyl carbonate 13.35
    n-octane 0.53
    formamide 46.55
    cyclopentanone 56.91
    2-pentanone 25.43
    anisole 10.75
    cyclopentyl methyl ether 23.11
    gamma-butyrolactone 57.99
    1-methoxy-2-propanol 58.17
    pyridine 9.09
    3-pentanone 13.38
    furfural 44.69
    n-dodecane 0.41
    diethylene glycol 53.52
    diisopropyl ether 4.98
    tert-amyl alcohol 24.57
    acetylacetone 35.54
    n-hexadecane 0.46
    acetophenone 13.09
    methyl propionate 16.45
    isopentyl acetate 18.72
    trichloroethylene 5.57
    n-nonanol 9.63
    cyclohexanol 9.35
    benzyl alcohol 10.91
    2-ethylhexanol 11.92
    isooctanol 12.23
    dipropyl ether 14.83
    1,2-dichlorobenzene 2.04
    ethyl lactate 17.47
    propylene carbonate 25.32
    n-methylformamide 34.3
    2-pentanol 14.08
    n-pentane 0.33
    1-propoxy-2-propanol 45.04
    1-methoxy-2-propyl acetate 36.47
    2-(2-methoxypropoxy) propanol 37.79
    mesitylene 1.8
    ε-caprolactone 27.96
    p-cymene 3.88
    epichlorohydrin 42.6
    1,1,1-trichloroethane 2.95
    2-aminoethanol 20.51
    morpholine-4-carbaldehyde 65.11
    sulfolane 68.93
    2,2,4-trimethylpentane 0.58
    2-methyltetrahydrofuran 40.55
    n-hexyl acetate 17.28
    isooctane 0.63
    2-(2-butoxyethoxy)ethanol 49.43
    sec-butyl acetate 11.92
    tert-butyl acetate 26.17
    decalin 0.31
    glycerin 27.83
    diglyme 82.73
    acrylic acid 14.44
    isopropyl myristate 9.14
    n-butyric acid 20.46
    acetyl acetate 11.76
    di(2-ethylhexyl) phthalate 10.22
    ethyl propionate 13.19
    nitromethane 48.52
    1,2-diethoxyethane 29.23
    benzonitrile 5.57
    trioctyl phosphate 9.02
    1-bromopropane 1.44
    gamma-valerolactone 77.71
    n-decanol 7.37
    triethyl phosphate 11.09
    4-methyl-2-pentanol 11.37
    propionitrile 5.11
    vinylene carbonate 16.92
    1,1,2-trichlorotrifluoroethane 42.71
    DMS 12.73
    cumene 1.45
    2-octanol 9.43
    2-hexanone 21.14
    octyl acetate 11.64
    limonene 5.91
    1,2-dimethoxyethane 70.9
    ethyl orthosilicate 11.22
    tributyl phosphate 9.66
    diacetone alcohol 46.84
    N,N-dimethylaniline 9.79
    acrylonitrile 7.35
    aniline 5.81
    1,3-propanediol 32.16
    bromobenzene 0.78
    dibromomethane 0.95
    1,1,2,2-tetrachloroethane 5.78
    2-methyl-cyclohexyl acetate 16.06
    tetrabutyl urea 15.74
    diisobutyl methanol 10.53
    2-phenylethanol 16.24
    styrene 0.97
    dioctyl adipate 14.57
    dimethyl sulfate 27.36
    ethyl butyrate 18.72
    methyl lactate 23.77
    butyl lactate 20.31
    diethyl carbonate 11.2
    propanediol butyl ether 28.54
    triethyl orthoformate 16.64
    p-tert-butyltoluene 4.47
    methyl 4-tert-butylbenzoate 24.67
    morpholine 45.36
    tert-butylamine 12.38
    n-dodecanol 5.53
    dimethoxymethane 56.37
    ethylene carbonate 13.17
    cyrene 40.48
    2-ethoxyethyl acetate 27.78
    2-ethylhexyl acetate 13.16
    1,2,4-trichlorobenzene 3.56
    4-methylpyridine 8.9
    dibutyl ether 8.98
    2,6-dimethyl-4-heptanol 10.53
    DEF 28.81
    dimethyl isosorbide 65.52
    tetrachloroethylene 4.08
    eugenol 28.38
    triacetin 22.51
    span 80 27.63
    1,4-butanediol 15.79
    1,1-dichloroethane 1.93
    2-methyl-1-pentanol 15.12
    methyl formate 26.92
    2-methyl-1-butanol 14.06
    n-decane 0.66
    butyronitrile 7.04
    3,7-dimethyl-1-octanol 10.34
    1-chlorooctane 3.07
    1-chlorotetradecane 1.41
    n-nonane 0.56
    undecane 0.51
    tert-butylcyclohexane 0.54
    cyclooctane 0.14
    cyclopentanol 18.82
    tetrahydropyran 16.51
    tert-amyl methyl ether 17.23
    2,5,8-trioxanonane 65.94
    1-hexene 1.3
    2-isopropoxyethanol 36.53
    2,2,2-trifluoroethanol 17.55
    methyl butyrate 18.4

    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