1-(2-Chlorophenyl)piperazinium chloride

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  • Identifiers

    CAS number
    41202-32-8

    Molecular formula
    C10H14Cl2N2

    SMILES
    C1CN(CCN1)C2=CC=CC=C2Cl.Cl

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 56.66%
    Fishy 33.31%
    Animal 32.48%
    Phenolic 28.64%
    Smoky 24.55%
    Musty 24.0%
    Burnt 23.12%
    Bitter 22.19%
    Nutty 22.01%
    Roasted 19.62%

     

    Flavor
    Bitter 35.1%
    Roasted 30.61%
    Animal 26.87%
    Meaty 25.55%
    Sulfurous 25.37%
    Egg 24.21%
    Fishy 24.19%
    Alkaline 23.41%
    Mild 22.06%
    Bouillon 21.88%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    -262041.19 (strong acid)

    Molecular weight
    233.13 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    366°C

    Flash point

    • 105.53 ˚C est.

  • Synonyms

    • 1-(2-Chlorophenyl)piperazine hydrochloride
    • 41202-32-8
    • 1-(2-Chlorophenyl)piperazine monohydrochloride
    • 1-(2-Chlorophenyl)piperazinium chloride
    • 1-(2-Chlorophenyl)piperazine HCl
    • 55974-33-9
    • MFCD00012761
    • 1-(2-chlorophenyl)piperazine;hydrochloride
    • 1-(2-Chlorophenyl)-piperazine hydrochloride
    • EINECS 255-262-0
    • Piperazine, 1-(2-chlorophenyl)-, monohydrochloride
    • 1-(o-Chlorophenyl)-piperazine hydrochloride hydrate
    • Piperazine, 1-(2-chlorophenyl)-, hydrochloride (1:1)
    • 1-(o-Chlorophenyl)piperazine hydrochloride
    • 1-(2-Chlorophenyl)piperazine, HCl
    • ortho-Chlorophenylpiperazine Hydrochloride; oCPP HCl
    • EINECS 259-929-7
    • 1-(o-Chlorophenyl)piperazine HCl
    • 1(2-Chlorophenyl)piperazine hydrochloride
    • TTN62J2MPD
    • SCHEMBL184663
    • DTXSID30961498
    • BCP04894
    • NSC71660
    • NSC-71660
    • 2-chlorophenyl piperazine hydrochloride
    • AKOS005259283
    • FC36602
    • LF-0566
    • AC-23378
    • SY020866
    • 1-(2-chloro-phenyl)piperazine hydrochloride
    • 1-(2-chlorophenyl)piperazine, hydrochloride
    • NS00087603
    • NS00088414
    • EN300-20137
    • N-(2-Chlorophenyl)piperazine monohydrochloride
    • O10263
    • 1-4-(2-Chlorophenyl)piperazine monohydrochloride
    • 1-(2-Chlorophenyl)piperazine monohydrochloride, 95%
    • ortho-Chlorophenylpiperazine Hydrochloride (oCPP HCl)
    • 1-(2-Chlorophenyl)piperazine--hydrogen chloride (1/1)
    • F2190-0346
    • Z104477032
    • ortho-Chlorophenylpiperazine Hydrochloride (oCPP HCl) 1.0 mg/ml in Methanol (as free base)
    • 255-262-0

  • Applications

    1-(2-Chlorophenyl)piperazinium chloride (CAS 41202-32-8) is commonly used as a synthetic building block in medicinal and organic chemistry. In pharmaceutical research, it provides an arylpiperazine-containing intermediate for the development of related drug leads and conjugates. In organic synthesis, the quaternary piperazinium salt can function as a cationic building block for salt formation, ion-pairing strategies, or as a phase-transfer catalyst in selected transformations. In materials and specialty chemicals, it may serve as a precursor for ionic liquids or cationic surfactant components, enabling niche solvents, coatings, or formulations. Because of its quaternary ammonium nature, it could be explored for antimicrobial surface applications under appropriate regulatory controls.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 15.65
    methanol 83.67
    isopropanol 2.28
    water 366.72
    ethyl acetate 1.0
    n-propanol 6.93
    acetone 0.39
    n-butanol 4.03
    acetonitrile 0.77
    DMF 23.22
    toluene 0.06
    isobutanol 3.11
    1,4-dioxane 1.59
    methyl acetate 0.36
    THF 1.42
    2-butanone 0.28
    n-pentanol 5.29
    sec-butanol 1.78
    n-hexane 0.08
    ethylene glycol 149.51
    NMP 39.81
    cyclohexane 0.11
    DMSO 62.87
    n-butyl acetate 1.46
    n-octanol 2.36
    chloroform 4.26
    n-propyl acetate 1.28
    acetic acid 34.95
    dichloromethane 7.92
    cyclohexanone 2.32
    propylene glycol 29.75
    isopropyl acetate 0.58
    DMAc 21.25
    2-ethoxyethanol 27.61
    isopentanol 2.46
    n-heptane 0.2
    ethyl formate 4.3
    1,2-dichloroethane 2.93
    n-hexanol 4.17
    2-methoxyethanol 48.99
    isobutyl acetate 0.81
    tetrachloromethane 1.12
    n-pentyl acetate 1.76
    transcutol 28.3
    n-heptanol 4.39
    ethylbenzene 0.2
    MIBK 0.47
    2-propoxyethanol 20.41
    tert-butanol 1.73
    MTBE 0.17
    2-butoxyethanol 14.86
    propionic acid 9.18
    o-xylene 0.28
    formic acid 254.8
    diethyl ether 0.36
    m-xylene 0.26
    p-xylene 0.25
    chlorobenzene 0.35
    dimethyl carbonate 1.17
    n-octane 0.13
    formamide 148.58
    cyclopentanone 2.11
    2-pentanone 0.48
    anisole 0.63
    cyclopentyl methyl ether 0.79
    gamma-butyrolactone 6.5
    1-methoxy-2-propanol 14.2
    pyridine 1.08
    3-pentanone 0.4
    furfural 17.69
    n-dodecane 0.1
    diethylene glycol 62.43
    diisopropyl ether 0.16
    tert-amyl alcohol 1.69
    acetylacetone 1.11
    n-hexadecane 0.1
    acetophenone 2.06
    methyl propionate 1.32
    isopentyl acetate 1.43
    trichloroethylene 4.03
    n-nonanol 2.33
    cyclohexanol 2.33
    benzyl alcohol 4.22
    2-ethylhexanol 2.32
    isooctanol 3.23
    dipropyl ether 0.95
    1,2-dichlorobenzene 1.12
    ethyl lactate 6.06
    propylene carbonate 5.4
    n-methylformamide 27.16
    2-pentanol 1.14
    n-pentane 0.09
    1-propoxy-2-propanol 8.95
    1-methoxy-2-propyl acetate 3.33
    2-(2-methoxypropoxy) propanol 10.86
    mesitylene 0.3
    ε-caprolactone 4.79
    p-cymene 0.8
    epichlorohydrin 5.17
    1,1,1-trichloroethane 0.56
    2-aminoethanol 82.77
    morpholine-4-carbaldehyde 28.59
    sulfolane 24.02
    2,2,4-trimethylpentane 0.07
    2-methyltetrahydrofuran 0.75
    n-hexyl acetate 1.87
    isooctane 0.05
    2-(2-butoxyethoxy)ethanol 14.29
    sec-butyl acetate 0.64
    tert-butyl acetate 0.54
    decalin 0.12
    glycerin 99.98
    diglyme 18.45
    acrylic acid 15.87
    isopropyl myristate 0.73
    n-butyric acid 8.57
    acetyl acetate 1.17
    di(2-ethylhexyl) phthalate 4.05
    ethyl propionate 1.15
    nitromethane 12.82
    1,2-diethoxyethane 1.97
    benzonitrile 1.79
    trioctyl phosphate 2.79
    1-bromopropane 0.69
    gamma-valerolactone 11.02
    n-decanol 1.74
    triethyl phosphate 2.3
    4-methyl-2-pentanol 0.87
    propionitrile 0.87
    vinylene carbonate 6.75
    1,1,2-trichlorotrifluoroethane 36.66
    DMS 1.96
    cumene 0.41
    2-octanol 1.71
    2-hexanone 0.78
    octyl acetate 1.27
    limonene 0.87
    1,2-dimethoxyethane 8.73
    ethyl orthosilicate 2.04
    tributyl phosphate 2.64
    diacetone alcohol 2.78
    N,N-dimethylaniline 1.41
    acrylonitrile 2.14
    aniline 0.72
    1,3-propanediol 42.62
    bromobenzene 0.25
    dibromomethane 3.05
    1,1,2,2-tetrachloroethane 4.45
    2-methyl-cyclohexyl acetate 2.52
    tetrabutyl urea 4.47
    diisobutyl methanol 1.08
    2-phenylethanol 4.57
    styrene 0.16
    dioctyl adipate 2.2
    dimethyl sulfate 4.66
    ethyl butyrate 1.58
    methyl lactate 8.96
    butyl lactate 7.0
    diethyl carbonate 1.56
    propanediol butyl ether 16.64
    triethyl orthoformate 1.92
    p-tert-butyltoluene 0.69
    methyl 4-tert-butylbenzoate 5.42
    morpholine 3.89
    tert-butylamine 0.79
    n-dodecanol 1.27
    dimethoxymethane 5.05
    ethylene carbonate 4.57
    cyrene 20.48
    2-ethoxyethyl acetate 3.06
    2-ethylhexyl acetate 1.21
    1,2,4-trichlorobenzene 1.45
    4-methylpyridine 0.63
    dibutyl ether 0.6
    2,6-dimethyl-4-heptanol 1.08
    DEF 3.7
    dimethyl isosorbide 13.15
    tetrachloroethylene 5.45
    eugenol 10.83
    triacetin 3.99
    span 80 10.88
    1,4-butanediol 30.49
    1,1-dichloroethane 0.5
    2-methyl-1-pentanol 3.27
    methyl formate 11.38
    2-methyl-1-butanol 2.64
    n-decane 0.14
    butyronitrile 1.07
    3,7-dimethyl-1-octanol 1.77
    1-chlorooctane 0.53
    1-chlorotetradecane 0.26
    n-nonane 0.13
    undecane 0.11
    tert-butylcyclohexane 0.1
    cyclooctane 0.09
    cyclopentanol 2.81
    tetrahydropyran 0.52
    tert-amyl methyl ether 0.33
    2,5,8-trioxanonane 15.08
    1-hexene 0.21
    2-isopropoxyethanol 10.02
    2,2,2-trifluoroethanol 24.9
    methyl butyrate 1.73

    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