Bis(4-chlorobenzoyl) peroxide

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  • Identifiers

    CAS number
    94-17-7

    Molecular formula
    C14H8Cl2O4

    SMILES
    C1=CC(=CC=C1C(=O)OOC(=O)C2=CC=C(C=C2)Cl)Cl

    Safety labels

    Explosive
    Explosive

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Floral 60.66%
    Honey 45.97%
    Sweet 39.15%
    Balsamic 37.35%
    Neroli 36.48%
    Powdery 35.62%
    Grape 34.16%
    Phenolic 33.9%
    Fruity 29.01%
    Orange 28.98%

     

    Flavor
    Bitter 52.23%
    Odorless 39.65%
    Fruity 36.14%
    Mild 31.81%
    Grape 31.64%
    Wintergreen 27.79%
    Powdery 27.62%
    Faint 26.77%
    Balsam 25.34%
    Strawberry 25.01%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.8

    pKa est.
    5.27 (weak acid)

    Molecular weight
    311.1 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    393°C

    Melting point expt.

    • 137-138 °C

    Flash point

    • 162.99 ˚C est.

    Solubility expt.

    • Insol in water; sol in organic solvents

  • Synonyms

    • Bis(4-chlorobenzoyl) peroxide
    • Peroxide, bis(4-chlorobenzoyl)
    • p-Chlorobenzoyl peroxide
    • Luperco BDB
    • 94-17-7
    • Bis(4-chlorobenzoyl)peroxide
    • p,p'-Dichlorobenzoyl peroxide
    • Peroxide, bis(p-chlorobenzoyl)-
    • HSDB 2772
    • EINECS 202-310-3
    • (4-chlorobenzoyl) 4-chlorobenzenecarboperoxoate
    • BRN 1915514
    • UNII-78776C973U
    • 78776C973U
    • DTXSID9059098
    • CHLOROBENZOYL PEROXIDE, P-
    • 4-09-00-00984 (Beilstein Handbook Reference)
    • 4,4'-DICHLOROBENZOYL PEROXIDE
    • BIS(4-CHLOROBENZOYL) PEROXIDE [HSDB]
    • Cadox PS
    • 4-Chlorobenzoyl peroxide
    • Bis(p-chlorobenzoyl) peroxide
    • p,p'-Dichlorodibenzoyl peroxide
    • DI-(P-CHLOROBENZOYL) PEROXIDE
    • P-CHLOROBENZOYL PEROXIDE, (<= 52% AS A PASTE)
    • P-CHLOROBENZOYL PEROXIDE, [<= 52% AS A PASTE]
    • p-Chlorbenzoylperoxyd
    • pChlorobenzoyl peroxide
    • 4Chlorobenzoyl peroxide
    • Di(pchlorobenzoyl) peroxide
    • Bis(pchlorobenzoyl) peroxide
    • p,p'Dichlorobenzoyl peroxide
    • SCHEMBL22619
    • Peroxide, bis(pchlorobenzoyl)
    • p,p'Dichlorodibenzoyl peroxide
    • bis(p-chloro-benzoyl) peroxide
    • bis-(p-chlorobenzoyl) peroxide
    • DTXCID0048896
    • P,P'-CHLOROBENZOYL PEROXIDE
    • PEROXIDE, BIS(P-CHLOROBENZOYL)
    • NS00022898
    • Q27266645
    • 4-Chloro-benzenecarboperoxoic acid 4-chloro-benzoyl ester
    • 202-310-3

  • Applications

    Bis(4-chlorobenzoyl) peroxide (CAS 94-17-7) is used as a free-radical initiator for the polymerization of vinyl monomers and as a crosslinking agent in coatings, paints, and adhesives, as well as for strengthening polymer networks and rubber; it can also serve as an intermediate in the synthesis of aryl compounds.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.12
    methanol 0.94
    isopropanol 0.77
    water 0.0
    ethyl acetate 64.03
    n-propanol 1.78
    acetone 33.73
    n-butanol 1.75
    acetonitrile 11.99
    DMF 92.33
    toluene 84.08
    isobutanol 1.2
    1,4-dioxane 63.02
    methyl acetate 69.01
    THF 172.11
    2-butanone 71.97
    n-pentanol 2.84
    sec-butanol 3.59
    n-hexane 0.61
    ethylene glycol 0.17
    NMP 190.19
    cyclohexane 0.87
    DMSO 16.9
    n-butyl acetate 58.28
    n-octanol 3.28
    chloroform 159.83
    n-propyl acetate 47.51
    acetic acid 7.17
    dichloromethane 192.66
    cyclohexanone 91.67
    propylene glycol 0.56
    isopropyl acetate 46.12
    DMAc 215.13
    2-ethoxyethanol 15.94
    isopentanol 2.5
    n-heptane 1.35
    ethyl formate 15.5
    1,2-dichloroethane 88.78
    n-hexanol 3.99
    2-methoxyethanol 14.92
    isobutyl acetate 18.53
    tetrachloromethane 3.65
    n-pentyl acetate 33.21
    transcutol 162.03
    n-heptanol 3.36
    ethylbenzene 39.03
    MIBK 29.48
    2-propoxyethanol 25.74
    tert-butanol 2.42
    MTBE 23.06
    2-butoxyethanol 17.55
    propionic acid 7.11
    o-xylene 42.9
    formic acid 1.89
    diethyl ether 19.07
    m-xylene 36.17
    p-xylene 37.95
    chlorobenzene 64.45
    dimethyl carbonate 35.07
    n-octane 0.61
    formamide 10.55
    cyclopentanone 141.46
    2-pentanone 47.77
    anisole 111.72
    cyclopentyl methyl ether 68.14
    gamma-butyrolactone 161.42
    1-methoxy-2-propanol 15.09
    pyridine 160.93
    3-pentanone 55.97
    furfural 174.06
    n-dodecane 0.53
    diethylene glycol 8.11
    diisopropyl ether 8.1
    tert-amyl alcohol 7.75
    acetylacetone 120.67
    n-hexadecane 0.7
    acetophenone 116.86
    methyl propionate 61.3
    isopentyl acetate 45.34
    trichloroethylene 440.0
    n-nonanol 4.26
    cyclohexanol 5.07
    benzyl alcohol 27.35
    2-ethylhexanol 7.55
    isooctanol 3.79
    dipropyl ether 22.95
    1,2-dichlorobenzene 74.7
    ethyl lactate 16.19
    propylene carbonate 66.33
    n-methylformamide 19.33
    2-pentanol 2.72
    n-pentane 0.33
    1-propoxy-2-propanol 25.04
    1-methoxy-2-propyl acetate 96.88
    2-(2-methoxypropoxy) propanol 57.2
    mesitylene 16.04
    ε-caprolactone 117.62
    p-cymene 16.64
    epichlorohydrin 281.73
    1,1,1-trichloroethane 71.9
    2-aminoethanol 0.73
    morpholine-4-carbaldehyde 190.85
    sulfolane 128.06
    2,2,4-trimethylpentane 1.08
    2-methyltetrahydrofuran 110.52
    n-hexyl acetate 36.51
    isooctane 0.55
    2-(2-butoxyethoxy)ethanol 51.79
    sec-butyl acetate 41.94
    tert-butyl acetate 65.37
    decalin 2.26
    glycerin 1.64
    diglyme 161.27
    acrylic acid 9.38
    isopropyl myristate 18.21
    n-butyric acid 10.29
    acetyl acetate 51.66
    di(2-ethylhexyl) phthalate 16.64
    ethyl propionate 52.47
    nitromethane 79.96
    1,2-diethoxyethane 83.48
    benzonitrile 45.03
    trioctyl phosphate 7.31
    1-bromopropane 33.79
    gamma-valerolactone 214.44
    n-decanol 3.37
    triethyl phosphate 26.94
    4-methyl-2-pentanol 2.71
    propionitrile 10.26
    vinylene carbonate 59.17
    1,1,2-trichlorotrifluoroethane 97.12
    DMS 78.3
    cumene 15.57
    2-octanol 3.3
    2-hexanone 49.68
    octyl acetate 19.71
    limonene 23.54
    1,2-dimethoxyethane 79.62
    ethyl orthosilicate 24.5
    tributyl phosphate 13.88
    diacetone alcohol 43.44
    N,N-dimethylaniline 60.58
    acrylonitrile 25.03
    aniline 29.33
    1,3-propanediol 1.39
    bromobenzene 98.88
    dibromomethane 71.64
    1,1,2,2-tetrachloroethane 194.6
    2-methyl-cyclohexyl acetate 44.06
    tetrabutyl urea 25.99
    diisobutyl methanol 6.49
    2-phenylethanol 30.02
    styrene 52.97
    dioctyl adipate 38.62
    dimethyl sulfate 76.45
    ethyl butyrate 56.21
    methyl lactate 18.63
    butyl lactate 21.63
    diethyl carbonate 31.94
    propanediol butyl ether 11.65
    triethyl orthoformate 38.58
    p-tert-butyltoluene 15.73
    methyl 4-tert-butylbenzoate 70.91
    morpholine 66.13
    tert-butylamine 1.46
    n-dodecanol 2.73
    dimethoxymethane 54.44
    ethylene carbonate 32.01
    cyrene 56.27
    2-ethoxyethyl acetate 84.9
    2-ethylhexyl acetate 44.73
    1,2,4-trichlorobenzene 104.74
    4-methylpyridine 152.9
    dibutyl ether 19.95
    2,6-dimethyl-4-heptanol 6.49
    DEF 97.22
    dimethyl isosorbide 177.53
    tetrachloroethylene 87.25
    eugenol 54.19
    triacetin 80.4
    span 80 30.8
    1,4-butanediol 0.72
    1,1-dichloroethane 52.5
    2-methyl-1-pentanol 5.8
    methyl formate 19.22
    2-methyl-1-butanol 3.39
    n-decane 0.84
    butyronitrile 8.41
    3,7-dimethyl-1-octanol 7.11
    1-chlorooctane 5.71
    1-chlorotetradecane 2.77
    n-nonane 0.67
    undecane 0.65
    tert-butylcyclohexane 1.75
    cyclooctane 0.67
    cyclopentanol 5.33
    tetrahydropyran 44.45
    tert-amyl methyl ether 40.87
    2,5,8-trioxanonane 120.26
    1-hexene 5.38
    2-isopropoxyethanol 14.39
    2,2,2-trifluoroethanol 4.4
    methyl butyrate 61.93

    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