Pentachloropyridine

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  • Identifiers

    CAS number
    2176-62-7

    Molecular formula
    C5Cl5N

    SMILES
    C1(=C(C(=NC(=C1Cl)Cl)Cl)Cl)Cl

    Safety labels

    Irritant
    Irritant

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Odorless 50.9%
    Burnt 28.62%
    Phenolic 24.79%
    Animal 22.28%
    Dry 18.0%
    Smoky 17.61%
    Musty 17.37%
    Bitter 16.41%
    Musk 15.06%
    Savory 15.03%

     

    Flavor
    Bitter 61.16%
    Odorless 36.79%
    Mild 23.85%
    Roasted 21.56%
    Sweet-like 20.25%
    Scallion 20.2%
    Nitrile 19.98%
    Very strong 19.95%
    Bland 19.89%
    Rotten 19.75%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.7

    pKa est.
    4.71 (weak acid)

    Molecular weight
    251.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Melting point expt.

    • 125.5 °C

    Boiling point

    • 280 °C

    Flash point

    • 149.96 ˚C est.

    Solubility expt.

    • Very soluble in benzene, ethanol, ligroin

  • Synonyms

    • PENTACHLOROPYRIDINE
    • Perchloropyridine
    • 2176-62-7
    • Pyridine, pentachloro-
    • 2,3,4,5,6-Pentachloropyridine
    • Pyridine, 2,3,4,5,6-pentachloro-
    • MFCD00006230
    • 6MM852KA6T
    • DTXSID2022179
    • NSC-26286
    • DTXCID102179
    • CAS-2176-62-7
    • C5Cl5N
    • HSDB 5867
    • EINECS 218-535-5
    • NSC 26286
    • BRN 0155197
    • UNII-6MM852KA6T
    • SCHEMBL468366
    • 2,4,5,6-Pentachloropyridine
    • CHEMBL1872753
    • C5CL5N_100K
    • C5CL5N_150K
    • C5CL5N_200K
    • C5CL5N_250K
    • C5CL5N_300K
    • PENTACHLOROPYRIDINE [HSDB]
    • Pyridine,3,4,5,6-pentachloro-
    • BB_SC-02571
    • NSC26286
    • WLN: T6NJ BG CG DG EG FG
    • Tox21_201578
    • Tox21_300371
    • BBL011025
    • STK802167
    • AKOS005622686
    • CS-W010210
    • FP34244
    • NCGC00164060-01
    • NCGC00164060-02
    • NCGC00164060-03
    • NCGC00254444-01
    • NCGC00259127-01
    • AS-14843
    • DA-08138
    • DB-038116
    • NS00003320
    • P1661
    • EN300-20077
    • D77706
    • F242574
    • Q27265162
    • 2176-62-7

  • Applications

    Pentachloropyridine (CAS 2176-62-7) is mainly used as an intermediate in organic synthesis, serving as a precursor to chlorinated pyridine derivatives for agrochemical and pharmaceutical intermediate production. It is also used as a building block in dye and pigment chemistry and in coatings/inks. In polymer chemistry, it may serve as a precursor to pyridine-containing monomers or functional linkers for specialty polymers. In electronics and catalysis, it can be employed to synthesize pyridine-based ligands or advanced materials, depending on formulation and regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 10.53
    methanol 8.44
    isopropanol 8.72
    water 0.36
    ethyl acetate 24.89
    n-propanol 12.94
    acetone 25.46
    n-butanol 12.57
    acetonitrile 14.11
    DMF 27.54
    toluene 30.23
    isobutanol 10.69
    1,4-dioxane 57.4
    methyl acetate 27.49
    THF 110.43
    2-butanone 36.43
    n-pentanol 15.8
    sec-butanol 16.27
    n-hexane 5.81
    ethylene glycol 4.71
    NMP 54.92
    cyclohexane 9.09
    DMSO 27.21
    n-butyl acetate 35.83
    n-octanol 17.58
    chloroform 40.99
    n-propyl acetate 29.78
    acetic acid 13.01
    dichloromethane 37.79
    cyclohexanone 43.56
    propylene glycol 3.92
    isopropyl acetate 25.92
    DMAc 63.35
    2-ethoxyethanol 32.01
    isopentanol 14.78
    n-heptane 14.14
    ethyl formate 15.52
    1,2-dichloroethane 24.64
    n-hexanol 18.17
    2-methoxyethanol 28.39
    isobutyl acetate 21.85
    tetrachloromethane 12.86
    n-pentyl acetate 31.04
    transcutol 91.84
    n-heptanol 16.14
    ethylbenzene 26.54
    MIBK 27.39
    2-propoxyethanol 33.76
    tert-butanol 14.8
    MTBE 34.7
    2-butoxyethanol 27.4
    propionic acid 9.52
    o-xylene 30.58
    formic acid 7.44
    diethyl ether 31.31
    m-xylene 24.01
    p-xylene 29.7
    chlorobenzene 18.6
    dimethyl carbonate 14.95
    n-octane 6.51
    formamide 16.75
    cyclopentanone 52.86
    2-pentanone 27.95
    anisole 51.75
    cyclopentyl methyl ether 60.09
    gamma-butyrolactone 44.74
    1-methoxy-2-propanol 22.21
    pyridine 51.52
    3-pentanone 30.44
    furfural 48.1
    n-dodecane 4.62
    diethylene glycol 23.04
    diisopropyl ether 20.32
    tert-amyl alcohol 23.09
    acetylacetone 36.06
    n-hexadecane 5.32
    acetophenone 46.32
    methyl propionate 21.76
    isopentyl acetate 35.7
    trichloroethylene 47.66
    n-nonanol 18.01
    cyclohexanol 22.41
    benzyl alcohol 26.15
    2-ethylhexanol 23.11
    isooctanol 16.37
    dipropyl ether 39.66
    1,2-dichlorobenzene 19.18
    ethyl lactate 14.01
    propylene carbonate 26.34
    n-methylformamide 13.69
    2-pentanol 13.73
    n-pentane 6.16
    1-propoxy-2-propanol 30.46
    1-methoxy-2-propyl acetate 41.78
    2-(2-methoxypropoxy) propanol 41.61
    mesitylene 19.79
    ε-caprolactone 46.15
    p-cymene 31.07
    epichlorohydrin 63.38
    1,1,1-trichloroethane 29.88
    2-aminoethanol 7.34
    morpholine-4-carbaldehyde 57.39
    sulfolane 48.3
    2,2,4-trimethylpentane 6.66
    2-methyltetrahydrofuran 79.52
    n-hexyl acetate 30.74
    isooctane 4.49
    2-(2-butoxyethoxy)ethanol 43.48
    sec-butyl acetate 29.18
    tert-butyl acetate 38.53
    decalin 8.11
    glycerin 7.97
    diglyme 84.8
    acrylic acid 9.54
    isopropyl myristate 22.72
    n-butyric acid 12.34
    acetyl acetate 21.71
    di(2-ethylhexyl) phthalate 18.21
    ethyl propionate 26.48
    nitromethane 24.85
    1,2-diethoxyethane 60.89
    benzonitrile 27.63
    trioctyl phosphate 13.02
    1-bromopropane 22.24
    gamma-valerolactone 58.5
    n-decanol 15.14
    triethyl phosphate 22.91
    4-methyl-2-pentanol 13.45
    propionitrile 15.96
    vinylene carbonate 22.0
    1,1,2-trichlorotrifluoroethane 45.77
    DMS 23.77
    cumene 20.57
    2-octanol 14.98
    2-hexanone 34.8
    octyl acetate 22.43
    limonene 38.61
    1,2-dimethoxyethane 67.44
    ethyl orthosilicate 24.74
    tributyl phosphate 15.34
    diacetone alcohol 32.09
    N,N-dimethylaniline 48.08
    acrylonitrile 16.89
    aniline 27.54
    1,3-propanediol 10.53
    bromobenzene 19.64
    dibromomethane 28.6
    1,1,2,2-tetrachloroethane 39.89
    2-methyl-cyclohexyl acetate 37.51
    tetrabutyl urea 26.19
    diisobutyl methanol 20.09
    2-phenylethanol 31.02
    styrene 26.02
    dioctyl adipate 28.16
    dimethyl sulfate 23.35
    ethyl butyrate 37.77
    methyl lactate 12.71
    butyl lactate 19.53
    diethyl carbonate 24.26
    propanediol butyl ether 19.22
    triethyl orthoformate 34.0
    p-tert-butyltoluene 29.77
    methyl 4-tert-butylbenzoate 40.98
    morpholine 57.73
    tert-butylamine 12.74
    n-dodecanol 12.6
    dimethoxymethane 37.18
    ethylene carbonate 19.43
    cyrene 47.23
    2-ethoxyethyl acetate 38.21
    2-ethylhexyl acetate 35.04
    1,2,4-trichlorobenzene 28.52
    4-methylpyridine 43.93
    dibutyl ether 32.77
    2,6-dimethyl-4-heptanol 20.09
    DEF 39.66
    dimethyl isosorbide 92.1
    tetrachloroethylene 31.92
    eugenol 36.04
    triacetin 31.79
    span 80 27.51
    1,4-butanediol 6.81
    1,1-dichloroethane 21.12
    2-methyl-1-pentanol 20.4
    methyl formate 13.71
    2-methyl-1-butanol 16.57
    n-decane 7.42
    butyronitrile 16.56
    3,7-dimethyl-1-octanol 21.93
    1-chlorooctane 17.13
    1-chlorotetradecane 8.98
    n-nonane 7.05
    undecane 5.72
    tert-butylcyclohexane 7.76
    cyclooctane 6.54
    cyclopentanol 23.16
    tetrahydropyran 54.17
    tert-amyl methyl ether 44.95
    2,5,8-trioxanonane 71.58
    1-hexene 14.53
    2-isopropoxyethanol 29.53
    2,2,2-trifluoroethanol 11.2
    methyl butyrate 30.34

    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