Phenyltrichlorosilane

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  • Identifiers

    CAS number
    98-13-5

    Molecular formula
    C6H5Cl3Si

    SMILES
    C1=CC=C(C=C1)[Si](Cl)(Cl)Cl

    Safety labels

    Corrosive
    Corrosive

    Acute Toxic
    Acute Toxic

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Floral 48.17%
    Sweet 41.55%
    Rose 34.85%
    Balsamic 32.9%
    Odorless 31.83%
    Green 24.2%
    Animal 22.62%
    Powdery 22.53%
    Honey 20.99%
    Clean 19.14%

     

    Flavor
    Odorless 26.89%
    Mild 22.74%
    Sulfurous 20.59%
    Meaty 20.2%
    Nitrile 18.59%
    Bloody 18.34%
    Penetrating 18.12%
    Turnup 18.11%
    Scallion 18.07%
    Glue 18.03%

     

    Odor impact est.
    Medium

  • Properties

    pKa est.
    5.93 (weak acid)

    Molecular weight
    211.5 g/mol

    Boiling point

    • 395 °F at 760 mmHg (EPA, 1998)
    • 201 °C

    Flash point

    • 89.21 ˚C est.
    • 196 °F (EPA, 1998)
    • 196 °F (91 °C) (open cup)

    Solubility expt.

    • Soluble in carbon tetrachloride, chloroform, carbon disulfide
    • Soluble in benzene, ether, perchloroethylene

  • Synonyms

    • PHENYLTRICHLOROSILANE
    • Trichloro(phenyl)silane
    • 98-13-5
    • Trichlorophenylsilane
    • Silane, trichlorophenyl-
    • Phenyl trichlorosilane
    • Silicon phenyl trichloride
    • Phenylsilicon trichloride
    • Silane, phenyltrichloro-
    • UN1804
    • (Trichlorosilyl)benzene
    • HSDB 1039
    • EINECS 202-640-8
    • NSC 77080
    • UNII-M7199JL06M
    • BRN 0508730
    • AI3-51469
    • M7199JL06M
    • NSC-77080
    • Benzene, (trichlorosilyl)-
    • EC 202-640-8
    • 4-16-00-01560 (Beilstein Handbook Reference)
    • UN-1804
    • 41087-22-3
    • phenyltrichlorosilicane
    • MFCD00000479
    • phenyltrichlorsilan
    • phenyltrichlorosilan
    • Triclorofenilosilano
    • CP0280
    • phenylsilyl trichloride
    • WLN: G-SI-GGR
    • SCHEMBL38744
    • DTXSID5026621
    • NSC77080
    • PHENYLTRICHLOROSILANE [HSDB]
    • TSL 8063
    • KA 103
    • Trichloro(phenyl)silane, >=97.0%
    • AKOS008901230
    • UN 1804
    • s13675
    • NCGC00164368-01
    • BS-43818
    • DB-030250
    • NS00041194
    • P0240
    • EN300-19968
    • Phenyltrichlorosilane [UN1804] [Corrosive]
    • Q7840694
    • F0001-2314
    • InChI=1/C6H5Cl3Si/c7-10(8,9)6-4-2-1-3-5-6/h1-5
    • 202-640-8

  • Applications

    Phenyltrichlorosilane (CAS 98-13-5) is commonly used as a silanizing and surface-modification agent to graft phenyl groups onto inorganic oxide surfaces (such as silica and metal oxides), thereby tuning surface energy, adhesion, and compatibility with organic polymers. It also serves as a precursor for phenyl-containing siloxane resins and coatings used in adhesives, coatings, and inks with enhanced thermal stability and optical properties. In electronics and optics, it is employed to modify surfaces and to form dielectric or protective layers on wafers and glass, improving durability and device longevity. Additionally, Phenyltrichlorosilane functions as a reactive intermediate for introducing phenyl functionality into silicone polymers and specialty plastics, and as a starting point for surface-functionalizing fillers and fibers in composites to improve dispersion and interfacial bonding. It is commonly used, subject to formulation controls and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 76.03
    methanol 58.0
    isopropanol 73.88
    water 0.24
    ethyl acetate 108.07
    n-propanol 76.64
    acetone 177.13
    n-butanol 86.11
    acetonitrile 56.34
    DMF 581.63
    toluene 157.61
    isobutanol 65.9
    1,4-dioxane 278.65
    methyl acetate 121.7
    THF 679.87
    2-butanone 173.42
    n-pentanol 75.29
    sec-butanol 79.84
    n-hexane 11.41
    ethylene glycol 25.5
    NMP 431.76
    cyclohexane 23.78
    DMSO 262.23
    n-butyl acetate 123.37
    n-octanol 77.29
    chloroform 263.44
    n-propyl acetate 95.66
    acetic acid 68.35
    dichloromethane 185.79
    cyclohexanone 285.45
    propylene glycol 41.17
    isopropyl acetate 97.41
    DMAc 335.89
    2-ethoxyethanol 128.52
    isopentanol 80.32
    n-heptane 25.6
    ethyl formate 92.6
    1,2-dichloroethane 150.95
    n-hexanol 107.23
    2-methoxyethanol 207.71
    isobutyl acetate 79.34
    tetrachloromethane 51.84
    n-pentyl acetate 123.22
    transcutol 266.55
    n-heptanol 82.69
    ethylbenzene 73.5
    MIBK 117.53
    2-propoxyethanol 194.64
    tert-butanol 97.29
    MTBE 126.1
    2-butoxyethanol 147.39
    propionic acid 58.03
    o-xylene 95.19
    formic acid 26.95
    diethyl ether 115.76
    m-xylene 102.53
    p-xylene 80.03
    chlorobenzene 150.47
    dimethyl carbonate 100.58
    n-octane 13.92
    formamide 62.59
    cyclopentanone 430.08
    2-pentanone 162.73
    anisole 174.82
    cyclopentyl methyl ether 246.82
    gamma-butyrolactone 327.75
    1-methoxy-2-propanol 182.21
    pyridine 272.98
    3-pentanone 123.24
    furfural 368.72
    n-dodecane 11.43
    diethylene glycol 127.09
    diisopropyl ether 53.88
    tert-amyl alcohol 96.57
    acetylacetone 186.52
    n-hexadecane 13.17
    acetophenone 162.15
    methyl propionate 123.26
    isopentyl acetate 114.67
    trichloroethylene 333.84
    n-nonanol 73.76
    cyclohexanol 117.98
    benzyl alcohol 134.88
    2-ethylhexanol 79.21
    isooctanol 71.95
    dipropyl ether 101.74
    1,2-dichlorobenzene 142.69
    ethyl lactate 63.76
    propylene carbonate 182.11
    n-methylformamide 154.95
    2-pentanol 76.25
    n-pentane 16.57
    1-propoxy-2-propanol 157.37
    1-methoxy-2-propyl acetate 162.27
    2-(2-methoxypropoxy) propanol 129.74
    mesitylene 65.12
    ε-caprolactone 226.1
    p-cymene 66.16
    epichlorohydrin 376.3
    1,1,1-trichloroethane 161.19
    2-aminoethanol 49.79
    morpholine-4-carbaldehyde 419.03
    sulfolane 407.62
    2,2,4-trimethylpentane 13.3
    2-methyltetrahydrofuran 327.05
    n-hexyl acetate 136.47
    isooctane 12.21
    2-(2-butoxyethoxy)ethanol 168.9
    sec-butyl acetate 76.37
    tert-butyl acetate 136.11
    decalin 16.61
    glycerin 63.75
    diglyme 307.73
    acrylic acid 63.51
    isopropyl myristate 69.32
    n-butyric acid 97.69
    acetyl acetate 76.66
    di(2-ethylhexyl) phthalate 70.82
    ethyl propionate 85.22
    nitromethane 145.2
    1,2-diethoxyethane 137.04
    benzonitrile 150.86
    trioctyl phosphate 56.64
    1-bromopropane 96.03
    gamma-valerolactone 470.8
    n-decanol 58.23
    triethyl phosphate 58.62
    4-methyl-2-pentanol 58.4
    propionitrile 70.46
    vinylene carbonate 167.75
    1,1,2-trichlorotrifluoroethane 243.52
    DMS 96.58
    cumene 50.46
    2-octanol 69.95
    2-hexanone 126.48
    octyl acetate 83.11
    limonene 89.9
    1,2-dimethoxyethane 255.56
    ethyl orthosilicate 59.36
    tributyl phosphate 56.59
    diacetone alcohol 171.35
    N,N-dimethylaniline 133.45
    acrylonitrile 99.13
    aniline 145.69
    1,3-propanediol 75.62
    bromobenzene 163.37
    dibromomethane 134.59
    1,1,2,2-tetrachloroethane 267.09
    2-methyl-cyclohexyl acetate 98.72
    tetrabutyl urea 94.35
    diisobutyl methanol 57.3
    2-phenylethanol 150.24
    styrene 96.22
    dioctyl adipate 85.99
    dimethyl sulfate 159.5
    ethyl butyrate 96.9
    methyl lactate 90.07
    butyl lactate 97.56
    diethyl carbonate 60.33
    propanediol butyl ether 133.46
    triethyl orthoformate 81.67
    p-tert-butyltoluene 71.27
    methyl 4-tert-butylbenzoate 147.94
    morpholine 318.45
    tert-butylamine 68.07
    n-dodecanol 46.52
    dimethoxymethane 306.75
    ethylene carbonate 120.92
    cyrene 176.48
    2-ethoxyethyl acetate 157.94
    2-ethylhexyl acetate 99.83
    1,2,4-trichlorobenzene 172.37
    4-methylpyridine 276.11
    dibutyl ether 76.67
    2,6-dimethyl-4-heptanol 57.3
    DEF 203.79
    dimethyl isosorbide 269.61
    tetrachloroethylene 165.71
    eugenol 164.48
    triacetin 117.31
    span 80 131.15
    1,4-butanediol 41.87
    1,1-dichloroethane 137.99
    2-methyl-1-pentanol 70.79
    methyl formate 137.43
    2-methyl-1-butanol 77.83
    n-decane 17.67
    butyronitrile 90.76
    3,7-dimethyl-1-octanol 72.65
    1-chlorooctane 58.54
    1-chlorotetradecane 28.23
    n-nonane 16.34
    undecane 13.81
    tert-butylcyclohexane 17.38
    cyclooctane 13.36
    cyclopentanol 144.66
    tetrahydropyran 258.53
    tert-amyl methyl ether 120.33
    2,5,8-trioxanonane 223.56
    1-hexene 42.28
    2-isopropoxyethanol 105.89
    2,2,2-trifluoroethanol 41.58
    methyl butyrate 116.51

    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