Phosphorus pentachloride

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  • Identifiers

    CAS number
    10026-13-8

    Molecular formula
    Cl5P

    SMILES
    P(Cl)(Cl)(Cl)(Cl)Cl

    Safety labels

    Corrosive
    Corrosive

    Acute Toxic
    Acute Toxic

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Odorless 47.02%
    Sweet 28.97%
    Floral 27.44%
    Fishy 22.46%
    Balsamic 18.45%
    Clean 18.29%
    Fresh 16.88%
    Green 16.36%
    Rose 16.06%
    Woody 15.63%

     

  • Properties

    XLogP3-AA
    3.9

    pKa est.
    -12.84 (strong acid)

    Molecular weight
    208.2 g/mol

    Melting point expt.

    • (decomposes) 298 °F (under pressure) sublimes at about 212 °F without melting (EPA, 1998)
    • 160.5 °C /freezing point/
    • Melting point = 148 °C (under pressure); sublimes near 100 °C without melting
    • 324 °F (Sublimes)

    Boiling point

    • 320 °F at 760 mmHg (EPA, 1998)
    • 159 °C (sublimes)
    • Sublimes

    Flash point

    • 49.93 ˚C est.

    Solubility expt.

    • Reacts with water (NIOSH, 2024)
    • Hygroscopic
    • Sol in carbon disulfide, carbon tetrachloride
    • Reacts with water; soluble in carbon disulfide, carbon tetrachloride
    • Solubility in water: reaction
    • Reacts

  • Synonyms

    • PHOSPHORUS PENTACHLORIDE
    • 10026-13-8
    • Phosphorus(V) chloride
    • Pentachlorophosphorane
    • Phosphorane, pentachloro-
    • Phosphoric chloride
    • Phosphorus perchloride
    • PCl5
    • Phosphorous pentachloride
    • Phosphorpentachlorid
    • Phosphoric perchloride
    • Fosforpentachloride
    • Pieciochlorek fosforu
    • Phosphorus chloride (PCl5)
    • Pentachloro-lambda5-phosphane
    • Phosphoruspentachloride
    • Fosforo(pentacloruro di)
    • HSDB 1205
    • UNII-0EX753TYDU
    • Phosphore(pentachlorure de)
    • EINECS 233-060-3
    • 0EX753TYDU
    • pentachloridophosphorus
    • DTXSID9033896
    • CHEBI:30335
    • MFCD00011439
    • pentachloro-lambda(5)-phosphane
    • DTXCID7013896
    • EC 233-060-3
    • (PCl5)
    • [PCl5]
    • Pentachlorophosphorus
    • Fosforpentachloride [Dutch]
    • Phosphorpentachlorid [German]
    • Pieciochlorek fosforu [Polish]
    • Fosforo(pentacloruro di) [Italian]
    • Phosphore(pentachlorure de) [French]
    • UN1806
    • phosphorus pentachoride
    • phosphorus pentachioride
    • phosphorus-pentachloride
    • phosphorus (V)-chloride
    • phosphorus penta-chloride
    • phosphorus-(V)-chloride
    • phosphorous (V) chloride
    • Fosforo (pentachloruro di)
    • Phosphorus pentachloride, CP
    • Phosphorous (V) pentachloride
    • CHEMBL1465793
    • Tox21_202530
    • PHOSPHORUS PENTACHLORIDE [MI]
    • AKOS015918493
    • pentakis(chloranyl)-$l^{5}-phosphane
    • PHOSPHORUS PENTACHLORIDE, SOLID
    • PHOSPHORUS PENTACHLORIDE [HSDB]
    • InChI=1/Cl5P/c1-6(2,3,4)
    • NCGC00090975-01
    • NCGC00260079-01
    • PHOSPHORUS PENTACHLORIDE, (SOLID)
    • CAS-10026-13-8
    • DB-002853
    • NS00020361
    • P1612
    • Phosphorus pentachloride (packed in ampules)
    • Phosphorus pentachloride, reagent grade, 95%
    • Phosphorus pentachloride [UN1806] [Corrosive]
    • A800083
    • Q283427
    • Phosphorus pentachloride, purum p.a., >=98.0% (AT)
    • 233-060-3

  • Applications

    Phosphorus pentachloride is a strong chlorinating and dehydrating agent used in a range of organic syntheses. Typical applications include converting alcohols to alkyl chlorides, enabling downstream transformations and the preparation of chloride-containing intermediates from hydroxyl groups; it also converts carboxylic acids to the corresponding acid chlorides, common intermediates for acylation reactions in pharmaceuticals, dyes, and specialty chemicals. Industrially, PCl5 serves as a precursor for phosphorus oxychloride (POCl3) and other organophosphorus intermediates used in flame retardants, plasticizers, and related coatings resins. It acts as a building block in the synthesis of agrochemicals and crop-protection products, and in polymer and coating chemistry to activate hydroxyl groups or introduce chlorine into resins, enabling crosslinking or further functionalization. Its use is typically conducted under controlled conditions due to its corrosivity and regulatory considerations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 235.07
    methanol 262.95
    isopropanol 227.89
    water 12.34
    ethyl acetate 220.19
    n-propanol 209.0
    acetone 367.25
    n-butanol 220.37
    acetonitrile 143.54
    DMF 874.4
    toluene 205.22
    isobutanol 164.14
    1,4-dioxane 432.62
    methyl acetate 200.18
    THF 788.86
    2-butanone 252.15
    n-pentanol 139.4
    sec-butanol 219.41
    n-hexane 102.4
    ethylene glycol 104.82
    NMP 653.36
    cyclohexane 192.3
    DMSO 704.94
    n-butyl acetate 167.27
    n-octanol 149.08
    chloroform 590.72
    n-propyl acetate 145.47
    acetic acid 196.25
    dichloromethane 510.04
    cyclohexanone 370.52
    propylene glycol 115.08
    isopropyl acetate 190.52
    DMAc 651.7
    2-ethoxyethanol 226.53
    isopentanol 176.11
    n-heptane 121.95
    ethyl formate 167.6
    1,2-dichloroethane 357.71
    n-hexanol 174.4
    2-methoxyethanol 436.85
    isobutyl acetate 105.48
    tetrachloromethane 223.87
    n-pentyl acetate 168.23
    transcutol 340.54
    n-heptanol 150.56
    ethylbenzene 114.18
    MIBK 185.44
    2-propoxyethanol 287.47
    tert-butanol 294.21
    MTBE 287.3
    2-butoxyethanol 223.65
    propionic acid 148.66
    o-xylene 176.74
    formic acid 104.9
    diethyl ether 364.4
    m-xylene 168.44
    p-xylene 148.98
    chlorobenzene 205.47
    dimethyl carbonate 180.31
    n-octane 64.42
    formamide 178.52
    cyclopentanone 484.97
    2-pentanone 268.51
    anisole 201.78
    cyclopentyl methyl ether 421.37
    gamma-butyrolactone 427.99
    1-methoxy-2-propanol 371.0
    pyridine 310.54
    3-pentanone 242.84
    furfural 403.28
    n-dodecane 43.86
    diethylene glycol 243.44
    diisopropyl ether 167.72
    tert-amyl alcohol 247.07
    acetylacetone 289.74
    n-hexadecane 48.32
    acetophenone 186.3
    methyl propionate 234.06
    isopentyl acetate 146.38
    trichloroethylene 491.16
    n-nonanol 136.94
    cyclohexanol 274.76
    benzyl alcohol 153.55
    2-ethylhexanol 135.01
    isooctanol 127.97
    dipropyl ether 249.18
    1,2-dichlorobenzene 209.66
    ethyl lactate 104.19
    propylene carbonate 249.96
    n-methylformamide 268.69
    2-pentanol 196.09
    n-pentane 148.73
    1-propoxy-2-propanol 241.22
    1-methoxy-2-propyl acetate 207.83
    2-(2-methoxypropoxy) propanol 172.43
    mesitylene 139.17
    ε-caprolactone 290.12
    p-cymene 112.5
    epichlorohydrin 419.55
    1,1,1-trichloroethane 356.7
    2-aminoethanol 142.7
    morpholine-4-carbaldehyde 506.13
    sulfolane 593.83
    2,2,4-trimethylpentane 68.79
    2-methyltetrahydrofuran 434.42
    n-hexyl acetate 184.13
    isooctane 57.29
    2-(2-butoxyethoxy)ethanol 207.9
    sec-butyl acetate 122.52
    tert-butyl acetate 229.1
    decalin 71.89
    glycerin 177.38
    diglyme 391.29
    acrylic acid 141.88
    isopropyl myristate 112.89
    n-butyric acid 208.52
    acetyl acetate 160.48
    di(2-ethylhexyl) phthalate 92.7
    ethyl propionate 157.79
    nitromethane 284.98
    1,2-diethoxyethane 208.33
    benzonitrile 163.38
    trioctyl phosphate 85.15
    1-bromopropane 280.89
    gamma-valerolactone 447.86
    n-decanol 108.62
    triethyl phosphate 113.81
    4-methyl-2-pentanol 127.21
    propionitrile 146.89
    vinylene carbonate 218.96
    1,1,2-trichlorotrifluoroethane 341.54
    DMS 156.73
    cumene 91.65
    2-octanol 132.9
    2-hexanone 160.18
    octyl acetate 130.86
    limonene 161.51
    1,2-dimethoxyethane 403.5
    ethyl orthosilicate 122.85
    tributyl phosphate 89.95
    diacetone alcohol 232.81
    N,N-dimethylaniline 214.09
    acrylonitrile 165.69
    aniline 214.78
    1,3-propanediol 191.14
    bromobenzene 223.05
    dibromomethane 411.17
    1,1,2,2-tetrachloroethane 484.96
    2-methyl-cyclohexyl acetate 138.54
    tetrabutyl urea 134.42
    diisobutyl methanol 117.05
    2-phenylethanol 159.2
    styrene 134.06
    dioctyl adipate 134.44
    dimethyl sulfate 310.84
    ethyl butyrate 166.25
    methyl lactate 169.29
    butyl lactate 137.42
    diethyl carbonate 119.98
    propanediol butyl ether 179.72
    triethyl orthoformate 153.09
    p-tert-butyltoluene 126.68
    methyl 4-tert-butylbenzoate 222.12
    morpholine 443.25
    tert-butylamine 236.91
    n-dodecanol 92.87
    dimethoxymethane 579.88
    ethylene carbonate 193.51
    cyrene 186.66
    2-ethoxyethyl acetate 180.93
    2-ethylhexyl acetate 136.35
    1,2,4-trichlorobenzene 236.83
    4-methylpyridine 316.47
    dibutyl ether 161.91
    2,6-dimethyl-4-heptanol 117.05
    DEF 370.44
    dimethyl isosorbide 294.14
    tetrachloroethylene 367.1
    eugenol 194.64
    triacetin 172.64
    span 80 175.55
    1,4-butanediol 93.63
    1,1-dichloroethane 334.8
    2-methyl-1-pentanol 117.65
    methyl formate 223.45
    2-methyl-1-butanol 172.89
    n-decane 68.32
    butyronitrile 156.29
    3,7-dimethyl-1-octanol 124.32
    1-chlorooctane 131.35
    1-chlorotetradecane 71.12
    n-nonane 70.45
    undecane 52.53
    tert-butylcyclohexane 69.1
    cyclooctane 96.42
    cyclopentanol 307.68
    tetrahydropyran 419.41
    tert-amyl methyl ether 268.0
    2,5,8-trioxanonane 292.46
    1-hexene 150.22
    2-isopropoxyethanol 169.56
    2,2,2-trifluoroethanol 129.18
    methyl butyrate 179.22

    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