Chlorodiphenylphosphine

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  • Identifiers

    CAS number
    1079-66-9

    Molecular formula
    C12H10ClP

    SMILES
    C1=CC=C(C=C1)P(C2=CC=CC=C2)Cl

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Floral 61.37%
    Rose 44.14%
    Sweet 38.02%
    Animal 30.36%
    Green 29.52%
    Honey 29.24%
    Fruity 27.87%
    Geranium 26.93%
    Balsamic 26.22%
    Grape 26.14%

     

    Flavor
    Bitter 21.68%
    Mild 20.7%
    Nitrile 20.54%
    Turnup 19.9%
    Moth ball 19.88%
    Naphthelene 19.61%
    Very strong 19.55%
    Tar 19.48%
    Tarry 19.29%
    Penetrating 19.23%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.8

    pKa est.
    6.06 (neutral)

    Molecular weight
    220.63 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    316°C

    Flash point

    • 154.62 ˚C est.

  • Synonyms

    • Chlorodiphenylphosphine
    • 1079-66-9
    • Diphenylchlorophosphine
    • Diphenylphosphinous chloride
    • Phosphinous chloride, diphenyl-
    • chloro(diphenyl)phosphane
    • chlorodiphenylphosphane
    • P-Chlorodiphenylphosphine
    • Diphenylphosphine chloride
    • Phosphine, chlorodiphenyl-
    • C12H10ClP
    • MFCD00000529
    • diphenyl chlorophosphine
    • Diphenyl(chloro)phosphine
    • Phosphinous chloride, P,P-diphenyl-
    • CHLORODIPHENYLPHOSPINE
    • WO975PJK1Y
    • NSC-60407
    • diphenyl phosphine chloride
    • UNII-WO975PJK1Y
    • P,P-Diphenylphosphinous chloride
    • EINECS 214-093-2
    • ClPPh2
    • Ph2PCl
    • PPh2Cl
    • NSC 60407
    • diphenylchlorophosphane
    • chlorobisphenylphosphine
    • chloro-diphenylphosphane
    • chlorodiphenyl phosphine
    • chlorodiphenyl-phosphine
    • chloro(diphenyl)phosphine
    • monochlorodiphenylphosphine
    • Diphenylphosphinouschloride
    • P-chlorodiphenyl phosphine
    • diphenylphosphonium chloride
    • diphenyl phosphorus chloride
    • EC 214-093-2
    • Chlorodiphenylphosphine, 96%
    • SCHEMBL230096
    • diphenylphosphinous acid chloride
    • P-Chlorodiphenylphosphine, 99%
    • DTXSID7038789
    • SCHEMBL11664569
    • DIPHENYLPHOSPHORUS CHLORIDE
    • CHLORODIPHENYLPHOSPHINE [MI]
    • NSC60407
    • AKOS007930062
    • AC-4969
    • FC29123
    • BP-21390
    • SY007726
    • DB-009713
    • NS00004308
    • EN300-20626
    • D78000
    • F050109
    • Q411681
    • 1079-66-9

  • Applications

    Chlorodiphenylphosphine (CAS 1079-66-9) is a versatile chlorophosphine widely used as a building block in organophosphorus chemistry. It is commonly employed to install the diphenylphosphino group in molecules, providing a precursor for diphenylphosphine ligands in transition-metal catalyst systems (e.g., hydrogenation, cross-coupling, hydroformylation). It also serves in the preparation of phosphorus-containing intermediates such as phosphoramide and phosphorothioate derivatives used in coatings, adhesives, and electronic materials. In addition, it functions as a starting reagent to generate other phosphorus reagents and ligands for scalable synthesis of functional materials and polymer additives. Handling is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 94.55
    methanol 54.96
    isopropanol 68.08
    water 0.06
    ethyl acetate 231.23
    n-propanol 95.27
    acetone 476.43
    n-butanol 88.26
    acetonitrile 133.01
    DMF 793.05
    toluene 168.26
    isobutanol 68.13
    1,4-dioxane 679.03
    methyl acetate 256.02
    THF 1346.11
    2-butanone 362.73
    n-pentanol 67.69
    sec-butanol 75.91
    n-hexane 16.01
    ethylene glycol 21.62
    NMP 636.78
    cyclohexane 58.35
    DMSO 473.91
    n-butyl acetate 189.76
    n-octanol 63.42
    chloroform 703.46
    n-propyl acetate 155.44
    acetic acid 115.96
    dichloromethane 658.28
    cyclohexanone 706.92
    propylene glycol 40.97
    isopropyl acetate 133.51
    DMAc 446.51
    2-ethoxyethanol 119.91
    isopentanol 72.55
    n-heptane 37.01
    ethyl formate 194.82
    1,2-dichloroethane 499.52
    n-hexanol 98.08
    2-methoxyethanol 200.78
    isobutyl acetate 110.04
    tetrachloromethane 84.97
    n-pentyl acetate 147.0
    transcutol 332.75
    n-heptanol 62.25
    ethylbenzene 83.65
    MIBK 149.49
    2-propoxyethanol 162.24
    tert-butanol 91.14
    MTBE 128.93
    2-butoxyethanol 111.48
    propionic acid 108.61
    o-xylene 80.52
    formic acid 20.12
    diethyl ether 201.99
    m-xylene 81.86
    p-xylene 84.32
    chlorobenzene 235.96
    dimethyl carbonate 143.18
    n-octane 17.78
    formamide 78.45
    cyclopentanone 1055.01
    2-pentanone 293.57
    anisole 194.77
    cyclopentyl methyl ether 344.99
    gamma-butyrolactone 855.26
    1-methoxy-2-propanol 149.77
    pyridine 565.18
    3-pentanone 261.64
    furfural 595.62
    n-dodecane 11.86
    diethylene glycol 99.23
    diisopropyl ether 56.79
    tert-amyl alcohol 81.37
    acetylacetone 342.65
    n-hexadecane 13.8
    acetophenone 183.07
    methyl propionate 230.42
    isopentyl acetate 153.77
    trichloroethylene 937.76
    n-nonanol 59.69
    cyclohexanol 129.56
    benzyl alcohol 124.29
    2-ethylhexanol 81.52
    isooctanol 56.24
    dipropyl ether 155.62
    1,2-dichlorobenzene 197.15
    ethyl lactate 71.57
    propylene carbonate 378.41
    n-methylformamide 243.74
    2-pentanol 63.73
    n-pentane 21.14
    1-propoxy-2-propanol 136.6
    1-methoxy-2-propyl acetate 194.4
    2-(2-methoxypropoxy) propanol 96.96
    mesitylene 52.86
    ε-caprolactone 441.43
    p-cymene 65.52
    epichlorohydrin 861.07
    1,1,1-trichloroethane 336.85
    2-aminoethanol 47.34
    morpholine-4-carbaldehyde 536.76
    sulfolane 753.09
    2,2,4-trimethylpentane 12.56
    2-methyltetrahydrofuran 557.09
    n-hexyl acetate 155.64
    isooctane 10.59
    2-(2-butoxyethoxy)ethanol 138.31
    sec-butyl acetate 102.0
    tert-butyl acetate 149.93
    decalin 24.9
    glycerin 55.23
    diglyme 322.31
    acrylic acid 103.01
    isopropyl myristate 70.34
    n-butyric acid 159.87
    acetyl acetate 145.78
    di(2-ethylhexyl) phthalate 60.71
    ethyl propionate 135.98
    nitromethane 352.16
    1,2-diethoxyethane 211.08
    benzonitrile 193.49
    trioctyl phosphate 48.44
    1-bromopropane 224.1
    gamma-valerolactone 963.76
    n-decanol 46.72
    triethyl phosphate 77.41
    4-methyl-2-pentanol 43.21
    propionitrile 141.3
    vinylene carbonate 338.86
    1,1,2-trichlorotrifluoroethane 327.03
    DMS 139.33
    cumene 52.74
    2-octanol 52.45
    2-hexanone 196.05
    octyl acetate 82.65
    limonene 94.52
    1,2-dimethoxyethane 338.49
    ethyl orthosilicate 73.46
    tributyl phosphate 58.11
    diacetone alcohol 154.62
    N,N-dimethylaniline 116.91
    acrylonitrile 186.45
    aniline 155.69
    1,3-propanediol 77.83
    bromobenzene 258.39
    dibromomethane 418.39
    1,1,2,2-tetrachloroethane 632.53
    2-methyl-cyclohexyl acetate 124.6
    tetrabutyl urea 87.67
    diisobutyl methanol 54.89
    2-phenylethanol 126.42
    styrene 112.63
    dioctyl adipate 98.35
    dimethyl sulfate 204.97
    ethyl butyrate 156.34
    methyl lactate 97.24
    butyl lactate 100.0
    diethyl carbonate 104.94
    propanediol butyl ether 92.05
    triethyl orthoformate 109.79
    p-tert-butyltoluene 61.84
    methyl 4-tert-butylbenzoate 130.31
    morpholine 609.3
    tert-butylamine 55.02
    n-dodecanol 38.43
    dimethoxymethane 394.63
    ethylene carbonate 273.8
    cyrene 165.64
    2-ethoxyethyl acetate 195.77
    2-ethylhexyl acetate 136.13
    1,2,4-trichlorobenzene 225.86
    4-methylpyridine 403.05
    dibutyl ether 112.74
    2,6-dimethyl-4-heptanol 54.89
    DEF 315.37
    dimethyl isosorbide 250.91
    tetrachloroethylene 379.18
    eugenol 123.17
    triacetin 140.42
    span 80 99.61
    1,4-butanediol 36.52
    1,1-dichloroethane 332.25
    2-methyl-1-pentanol 61.97
    methyl formate 251.23
    2-methyl-1-butanol 72.84
    n-decane 20.04
    butyronitrile 150.58
    3,7-dimethyl-1-octanol 62.12
    1-chlorooctane 68.34
    1-chlorotetradecane 29.51
    n-nonane 19.94
    undecane 14.7
    tert-butylcyclohexane 20.17
    cyclooctane 22.97
    cyclopentanol 189.36
    tetrahydropyran 562.85
    tert-amyl methyl ether 107.57
    2,5,8-trioxanonane 197.07
    1-hexene 60.77
    2-isopropoxyethanol 93.76
    2,2,2-trifluoroethanol 53.77
    methyl butyrate 196.37

    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