2-Amino-4-chlorophenol

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  • Identifiers

    CAS number
    95-85-2

    Molecular formula
    C6H6ClNO

    SMILES
    C1=CC(=C(C=C1Cl)N)O

    Safety labels

    Irritant
    Irritant

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Phenolic 51.96%
    Odorless 37.99%
    Burnt 37.73%
    Smoky 36.18%
    Meaty 30.99%
    Medicinal 26.45%
    Animal 25.17%
    Spicy 23.9%
    Savory 23.85%
    Sweet 23.7%

     

    Flavor
    Bitter 41.02%
    Mild 37.66%
    Phenolic 35.6%
    Meaty 29.14%
    Odorless 24.97%
    Fruity 22.56%
    Sulfurous 22.12%
    Penetrating 21.28%
    Medicinal 20.98%
    Very strong 20.56%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.8

    pKa est.
    6.67 (neutral)

    Molecular weight
    143.57 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    297°C

    Melting point expt.

    • 284 to 286 °F (decomposes) (NTP, 1992)
    • 140 °C

    Flash point

    • 133.6 ˚C est.
    • 170 °C

    Solubility expt.

    • less than 1 mg/mL at 68 °F (NTP, 1992)
    • Solubility in water, g/l at 26 °C: 3 (slightly soluble)

  • Synonyms

    • 2-Amino-4-chlorophenol
    • 95-85-2
    • 5-CHLORO-2-HYDROXYANILINE
    • 4-Chloro-2-aminophenol
    • Phenol, 2-amino-4-chloro-
    • Fouramine PY
    • 2-Hydroxy-5-chloroaniline
    • p-Chloro-o-aminophenol
    • 2-amino-4-chloro-phenol
    • C.I. Oxidation Base 18
    • C.I. 76525
    • 4-chloro-o-aminophenol
    • CCRIS 4579
    • UNII-2Z43LEA3DX
    • EINECS 202-458-9
    • MFCD00007694
    • UN2673
    • NSC 247814
    • BRN 0774859
    • DTXSID5024473
    • RODOL PY
    • NSC-247814
    • 2Z43LEA3DX
    • DTXCID504473
    • EC 202-458-9
    • AMINO-4-CHLOROPHENOL, 2-
    • 1-Hydroxy-2-amino-4-chlorobenzene
    • 4-13-00-00878 (Beilstein Handbook Reference)
    • UN 2673
    • 1-AMINO-2-HYDROXY-5-CHLOROBENZENE
    • 4-chloro-2-amino phenol
    • 2-amino-4-chlorphenol
    • aminochlorophenol
    • oAminopchlorophenol
    • pChlorooaminophenol
    • 4Chloro2aminophenol
    • amino-4-chlorophenol
    • 2-amino4-chlorphenol
    • 2Hydroxy5chloroaniline
    • 5Chloro2hydroxyaniline
    • Phenol, 2amino4chloro
    • 2-amino 4-chlorophenol
    • 2-Amino-4-Chloro phenol
    • 2-amino -4-chloro-phenol
    • 5-chloro-2-hydroxy-aniline
    • 5-Chloro-2-hydroxy aniline
    • 2-azanyl-4-chloranyl-phenol
    • SCHEMBL93885
    • O-AMINO-P-CHLOROPHENOL
    • CHEMBL251389
    • 2-Amino-4-chlorophenol, 97%
    • 4-chloro-2-amino-1-hydroxybenzene
    • STR04156
    • Tox21_201047
    • BBL012067
    • NSC247814
    • STK082036
    • AKOS000119832
    • CCG-302529
    • FC16095
    • 4-CHLORO-2-AMINOPHENOL [INCI]
    • CAS-95-85-2
    • NCGC00091565-01
    • NCGC00091565-02
    • NCGC00091565-03
    • NCGC00258600-01
    • AC-10586
    • DB-057609
    • A0284
    • NS00007438
    • EN300-19646
    • 2-Amino-4-chlorophenol [UN2673] [Poison]
    • E78988
    • A845483
    • Q27255828
    • F1995-0244
    • Z104474586

  • Applications

    2-Amino-4-chlorophenol (CAS 95-85-2) is mainly used as a chemical building block and intermediate in the synthesis of a range of specialty chemicals. In the dye and pigment sector, it serves as an intermediate for colorants and pigments; in polymers and coatings, it is used as a building block for specialty monomers, resins, and crosslinking agents for UV-curable systems; in pharmaceuticals and medicinal chemistry, it functions as an intermediate in the synthesis of certain drug-like compounds and organic derivatives; in agriculture, it is considered a building block for some agricultural chemicals and pesticides; use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 22.95
    methanol 38.5
    isopropanol 15.93
    water 3.93
    ethyl acetate 9.35
    n-propanol 16.92
    acetone 17.05
    n-butanol 14.76
    acetonitrile 7.32
    DMF 47.44
    toluene 0.9
    isobutanol 9.38
    1,4-dioxane 24.27
    methyl acetate 14.52
    THF 82.06
    2-butanone 16.33
    n-pentanol 13.94
    sec-butanol 13.24
    n-hexane 0.23
    ethylene glycol 14.11
    NMP 29.62
    cyclohexane 0.15
    DMSO 35.27
    n-butyl acetate 14.7
    n-octanol 10.06
    chloroform 1.32
    n-propyl acetate 12.26
    acetic acid 38.26
    dichloromethane 1.01
    cyclohexanone 13.61
    propylene glycol 9.61
    isopropyl acetate 8.82
    DMAc 76.73
    2-ethoxyethanol 46.98
    isopentanol 15.36
    n-heptane 1.23
    ethyl formate 11.87
    1,2-dichloroethane 1.25
    n-hexanol 18.21
    2-methoxyethanol 54.76
    isobutyl acetate 8.65
    tetrachloromethane 0.85
    n-pentyl acetate 13.3
    transcutol 79.22
    n-heptanol 15.95
    ethylbenzene 1.12
    MIBK 12.41
    2-propoxyethanol 46.19
    tert-butanol 28.19
    MTBE 16.41
    2-butoxyethanol 38.01
    propionic acid 14.39
    o-xylene 1.72
    formic acid 45.25
    diethyl ether 6.23
    m-xylene 1.77
    p-xylene 1.82
    chlorobenzene 1.15
    dimethyl carbonate 8.75
    n-octane 0.61
    formamide 68.71
    cyclopentanone 27.83
    2-pentanone 11.77
    anisole 9.16
    cyclopentyl methyl ether 13.44
    gamma-butyrolactone 34.24
    1-methoxy-2-propanol 35.72
    pyridine 7.71
    3-pentanone 6.87
    furfural 32.66
    n-dodecane 0.5
    diethylene glycol 43.0
    diisopropyl ether 3.33
    tert-amyl alcohol 23.96
    acetylacetone 17.98
    n-hexadecane 0.52
    acetophenone 11.08
    methyl propionate 9.48
    isopentyl acetate 14.82
    trichloroethylene 3.61
    n-nonanol 10.17
    cyclohexanol 7.08
    benzyl alcohol 10.03
    2-ethylhexanol 11.77
    isooctanol 13.84
    dipropyl ether 10.67
    1,2-dichlorobenzene 1.79
    ethyl lactate 12.94
    propylene carbonate 17.71
    n-methylformamide 29.83
    2-pentanol 9.86
    n-pentane 0.23
    1-propoxy-2-propanol 32.98
    1-methoxy-2-propyl acetate 20.67
    2-(2-methoxypropoxy) propanol 32.33
    mesitylene 1.57
    ε-caprolactone 18.13
    p-cymene 3.46
    epichlorohydrin 23.01
    1,1,1-trichloroethane 1.93
    2-aminoethanol 22.11
    morpholine-4-carbaldehyde 45.5
    sulfolane 30.76
    2,2,4-trimethylpentane 0.54
    2-methyltetrahydrofuran 23.63
    n-hexyl acetate 13.89
    isooctane 0.55
    2-(2-butoxyethoxy)ethanol 40.93
    sec-butyl acetate 8.98
    tert-butyl acetate 15.75
    decalin 0.32
    glycerin 25.48
    diglyme 69.28
    acrylic acid 14.6
    isopropyl myristate 7.1
    n-butyric acid 18.1
    acetyl acetate 8.27
    di(2-ethylhexyl) phthalate 9.24
    ethyl propionate 8.04
    nitromethane 50.91
    1,2-diethoxyethane 22.01
    benzonitrile 5.46
    trioctyl phosphate 7.67
    1-bromopropane 0.82
    gamma-valerolactone 43.25
    n-decanol 7.99
    triethyl phosphate 8.7
    4-methyl-2-pentanol 9.99
    propionitrile 5.46
    vinylene carbonate 13.53
    1,1,2-trichlorotrifluoroethane 27.88
    DMS 8.89
    cumene 1.72
    2-octanol 9.72
    2-hexanone 14.26
    octyl acetate 9.85
    limonene 4.76
    1,2-dimethoxyethane 58.85
    ethyl orthosilicate 9.28
    tributyl phosphate 7.65
    diacetone alcohol 31.05
    N,N-dimethylaniline 9.68
    acrylonitrile 7.87
    aniline 4.68
    1,3-propanediol 27.59
    bromobenzene 0.67
    dibromomethane 0.61
    1,1,2,2-tetrachloroethane 3.38
    2-methyl-cyclohexyl acetate 12.68
    tetrabutyl urea 11.76
    diisobutyl methanol 8.76
    2-phenylethanol 13.21
    styrene 1.0
    dioctyl adipate 11.21
    dimethyl sulfate 15.15
    ethyl butyrate 12.96
    methyl lactate 14.92
    butyl lactate 15.8
    diethyl carbonate 8.66
    propanediol butyl ether 24.39
    triethyl orthoformate 12.74
    p-tert-butyltoluene 3.91
    methyl 4-tert-butylbenzoate 20.03
    morpholine 31.38
    tert-butylamine 10.56
    n-dodecanol 6.17
    dimethoxymethane 31.99
    ethylene carbonate 10.71
    cyrene 30.52
    2-ethoxyethyl acetate 19.34
    2-ethylhexyl acetate 10.69
    1,2,4-trichlorobenzene 2.82
    4-methylpyridine 7.51
    dibutyl ether 7.8
    2,6-dimethyl-4-heptanol 8.76
    DEF 17.38
    dimethyl isosorbide 46.82
    tetrachloroethylene 3.17
    eugenol 24.12
    triacetin 17.12
    span 80 22.73
    1,4-butanediol 16.14
    1,1-dichloroethane 1.14
    2-methyl-1-pentanol 14.52
    methyl formate 20.85
    2-methyl-1-butanol 12.52
    n-decane 0.78
    butyronitrile 6.93
    3,7-dimethyl-1-octanol 10.75
    1-chlorooctane 2.7
    1-chlorotetradecane 1.38
    n-nonane 0.67
    undecane 0.61
    tert-butylcyclohexane 0.57
    cyclooctane 0.16
    cyclopentanol 11.85
    tetrahydropyran 9.95
    tert-amyl methyl ether 13.69
    2,5,8-trioxanonane 55.31
    1-hexene 1.01
    2-isopropoxyethanol 32.75
    2,2,2-trifluoroethanol 22.25
    methyl butyrate 12.87

    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