1,3,5-Trichlorobenzene

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  • Identifiers

    CAS number
    108-70-3

    Molecular formula
    C6H3Cl3

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

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Woody 37.11%
    Floral 36.2%
    Animal 35.0%
    Phenolic 34.36%
    Fruity 29.23%
    Dry 25.88%
    Sweet 24.12%
    Burnt 23.88%
    Leathery 22.18%
    Spicy 22.08%

     

    Flavor
    Bitter 34.28%
    Odorless 23.75%
    Mild 22.23%
    Nitrile 19.89%
    Very strong 19.68%
    Rotten 19.47%
    Indole 19.44%
    Flat 19.15%
    Penetrating 19.14%
    Scallion 18.66%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.2

    pKa est.
    6.44 (neutral)

    Molecular weight
    181.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Melting point expt.

    • 145 to 147 °F (NTP, 1992)
    • 62.8 °C
    • 63 °C

    Boiling point

    • 407.1 °F at 760 mmHg (NTP, 1992)
    • 208 °C
    • 1,3,5-Trichlorobenzene forms azeotropes with percentages of the following compounds yielding boiling points as listed: 50% camphor, bp 210.5 °C; 43% caproic acid, bp 204.0 °C; 60% m-Cresol, bp 200.5 °C; 40% p-Cresol, bp 200.2 °C; 35% N-Ethylaniline, bp 203.0 °C; Methone (% NA), bp 209.5 °C; 95% Phenol, bp 181.3 °C; p-Toluidine (% NA), bp 199.0. /From table/

    Flash point

    • 96.61 ˚C est.
    • 224.6 °F (NTP, 1992)
    • 107 °C
    • 107 °C /closed cup/

    Solubility expt.

    • less than 0.1 mg/mL at 67.1 °F (NTP, 1992)
    • Soluble in chloroform
    • Sparingly sol in alcohol; freely sol in ether, benzene, petroleum ether, carbon disulfide, glacial acetic acid
    • In water, 6.01 mg/L at 25 °C
    • Solubility in water, g/100ml at 25 °C: 0.0006

  • Synonyms

    • 1,3,5-TRICHLOROBENZENE
    • 108-70-3
    • s-Trichlorobenzene
    • sym-Trichlorobenzene
    • Benzene, 1,3,5-trichloro-
    • 1,3,5-TRICHLORO-BENZENE
    • CCRIS 5946
    • HSDB 132
    • Symmetrical trichlorobenzene
    • NSC 4389
    • EINECS 203-608-6
    • 2HS4M0BX3C
    • DTXSID8026195
    • CHEBI:49916
    • AI3-22031
    • 1,3,5-Trichlorbenzol
    • NSC-4389
    • DTXCID506195
    • TRICHLOROBENZENE, 1,3,5-
    • 1,3,5-TRICHLOROBENZENE [MI]
    • 63697-19-8
    • 1,3,5-TRICHLOROBENZENE [HSDB]
    • C6H3Cl3
    • UNII-2HS4M0BX3C
    • sTrichlorobenzene
    • symTrichlorobenzene
    • Benzene, 1,3,5-trichloro-; 1,3,5-Trichlorobenzene; NSC 4389; Symmetrical trichlorobenzene; s-Trichlorobenzene; sym-Trichlorobenzene
    • MFCD00000585
    • 1,5-Trichlorobenzene
    • 2,4,6-trichlorobenzene
    • Benzene,3,5-trichloro-
    • 1,3, 5-Trichlorobenzene
    • Benzene, 1,3,5trichloro
    • benzene,1,3,5-trichloro-
    • CHEMBL44228
    • SCHEMBL429512
    • 1,3,5-tris(chloranyl)benzene
    • 1,3,5-Trichlorobenzene, 99%
    • NSC4389
    • Tox21_200279
    • AKOS015888162
    • DB03836
    • FT34467
    • s12299
    • NCGC00091181-01
    • NCGC00091181-02
    • NCGC00257833-01
    • CAS-108-70-3
    • PD007196
    • PS-10255
    • TCZ
    • NS00004747
    • T0378
    • Benzene, 1,3,5-trichloro-, radical ion(1-)
    • A801916
    • 1,3,5-Trichlorobenzene 100 microg/mL in Methanol
    • Q2031856
    • 1,3,5-Trichlorobenzene 10 microg/mL in Acetonitrile
    • 1,3,5-Trichlorobenzene 10 microg/mL in Cyclohexane
    • Z1255449966
    • 1,3,5-Trichlorobenzene, PESTANAL(R), analytical standard
    • 1,3,5-Trichlorobenzene, certified reference material, TraceCERT(R)
    • 203-608-6

  • Applications

    1,3,5-Trichlorobenzene (CAS 108-70-3) is commonly used as an intermediate in organic synthesis, enabling the production of dye and pigment precursors and other pharmaceutical intermediates. It also serves as a high-boiling solvent in industrial manufacturing and is used as a solvent for coatings, inks, and adhesives. In polymer and plastics processing, it may act as a processing solvent or diluent. It is also evaluated for electronics-related applications, including as a component in photoresist formulations. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 152.28
    methanol 85.66
    isopropanol 139.97
    water 1.03
    ethyl acetate 510.97
    n-propanol 179.96
    acetone 333.47
    n-butanol 232.58
    acetonitrile 214.11
    DMF 328.83
    toluene 867.61
    isobutanol 174.46
    1,4-dioxane 867.47
    methyl acetate 346.4
    THF 1444.57
    2-butanone 373.39
    n-pentanol 158.88
    sec-butanol 194.89
    n-hexane 198.39
    ethylene glycol 40.23
    NMP 709.87
    cyclohexane 633.02
    DMSO 313.31
    n-butyl acetate 379.0
    n-octanol 171.19
    chloroform 1082.75
    n-propyl acetate 287.48
    acetic acid 189.92
    dichloromethane 864.8
    cyclohexanone 821.6
    propylene glycol 66.59
    isopropyl acetate 353.23
    DMAc 366.12
    2-ethoxyethanol 229.15
    isopentanol 193.31
    n-heptane 223.63
    ethyl formate 260.33
    1,2-dichloroethane 546.02
    n-hexanol 239.84
    2-methoxyethanol 321.17
    isobutyl acetate 208.12
    tetrachloromethane 261.95
    n-pentyl acetate 266.58
    transcutol 541.77
    n-heptanol 137.76
    ethylbenzene 326.89
    MIBK 306.99
    2-propoxyethanol 355.72
    tert-butanol 176.97
    MTBE 329.9
    2-butoxyethanol 201.42
    propionic acid 172.76
    o-xylene 412.74
    formic acid 51.0
    diethyl ether 531.45
    m-xylene 489.02
    p-xylene 326.0
    chlorobenzene 543.49
    dimethyl carbonate 283.43
    n-octane 98.88
    formamide 93.37
    cyclopentanone 860.99
    2-pentanone 448.59
    anisole 476.06
    cyclopentyl methyl ether 1109.09
    gamma-butyrolactone 834.98
    1-methoxy-2-propanol 299.59
    pyridine 715.2
    3-pentanone 414.84
    furfural 701.16
    n-dodecane 67.56
    diethylene glycol 209.16
    diisopropyl ether 248.38
    tert-amyl alcohol 196.75
    acetylacetone 517.14
    n-hexadecane 78.66
    acetophenone 371.09
    methyl propionate 435.09
    isopentyl acetate 300.07
    trichloroethylene 913.15
    n-nonanol 161.3
    cyclohexanol 486.99
    benzyl alcohol 266.57
    2-ethylhexanol 208.22
    isooctanol 114.85
    dipropyl ether 430.32
    1,2-dichlorobenzene 439.67
    ethyl lactate 146.98
    propylene carbonate 555.73
    n-methylformamide 168.42
    2-pentanol 214.79
    n-pentane 209.27
    1-propoxy-2-propanol 315.65
    1-methoxy-2-propyl acetate 425.92
    2-(2-methoxypropoxy) propanol 232.52
    mesitylene 293.87
    ε-caprolactone 704.11
    p-cymene 200.78
    epichlorohydrin 866.26
    1,1,1-trichloroethane 622.5
    2-aminoethanol 77.1
    morpholine-4-carbaldehyde 638.43
    sulfolane 801.97
    2,2,4-trimethylpentane 92.35
    2-methyltetrahydrofuran 1088.08
    n-hexyl acetate 344.24
    isooctane 77.81
    2-(2-butoxyethoxy)ethanol 285.58
    sec-butyl acetate 242.68
    tert-butyl acetate 394.4
    decalin 170.4
    glycerin 89.55
    diglyme 514.35
    acrylic acid 163.84
    isopropyl myristate 183.1
    n-butyric acid 299.47
    acetyl acetate 356.25
    di(2-ethylhexyl) phthalate 129.61
    ethyl propionate 322.32
    nitromethane 318.08
    1,2-diethoxyethane 409.58
    benzonitrile 348.2
    trioctyl phosphate 110.61
    1-bromopropane 505.76
    gamma-valerolactone 872.96
    n-decanol 131.19
    triethyl phosphate 186.62
    4-methyl-2-pentanol 132.35
    propionitrile 219.5
    vinylene carbonate 478.14
    1,1,2-trichlorotrifluoroethane 483.49
    DMS 355.47
    cumene 184.21
    2-octanol 127.41
    2-hexanone 289.38
    octyl acetate 220.1
    limonene 315.81
    1,2-dimethoxyethane 459.79
    ethyl orthosilicate 185.81
    tributyl phosphate 138.58
    diacetone alcohol 313.23
    N,N-dimethylaniline 303.06
    acrylonitrile 225.01
    aniline 470.76
    1,3-propanediol 131.94
    bromobenzene 635.33
    dibromomethane 718.1
    1,1,2,2-tetrachloroethane 726.46
    2-methyl-cyclohexyl acetate 274.46
    tetrabutyl urea 182.73
    diisobutyl methanol 150.3
    2-phenylethanol 283.65
    styrene 385.8
    dioctyl adipate 225.31
    dimethyl sulfate 351.98
    ethyl butyrate 347.21
    methyl lactate 190.77
    butyl lactate 171.63
    diethyl carbonate 240.61
    propanediol butyl ether 166.38
    triethyl orthoformate 282.39
    p-tert-butyltoluene 206.6
    methyl 4-tert-butylbenzoate 291.66
    morpholine 786.54
    tert-butylamine 153.58
    n-dodecanol 112.3
    dimethoxymethane 508.54
    ethylene carbonate 425.79
    cyrene 293.63
    2-ethoxyethyl acetate 332.7
    2-ethylhexyl acetate 295.99
    1,2,4-trichlorobenzene 515.57
    4-methylpyridine 714.29
    dibutyl ether 314.49
    2,6-dimethyl-4-heptanol 150.3
    DEF 471.74
    dimethyl isosorbide 530.62
    tetrachloroethylene 502.53
    eugenol 239.67
    triacetin 321.59
    span 80 243.51
    1,4-butanediol 71.18
    1,1-dichloroethane 537.54
    2-methyl-1-pentanol 152.74
    methyl formate 194.86
    2-methyl-1-butanol 209.78
    n-decane 107.97
    butyronitrile 280.89
    3,7-dimethyl-1-octanol 165.92
    1-chlorooctane 226.6
    1-chlorotetradecane 115.82
    n-nonane 118.07
    undecane 82.48
    tert-butylcyclohexane 128.66
    cyclooctane 284.29
    cyclopentanol 462.94
    tetrahydropyran 1111.85
    tert-amyl methyl ether 371.32
    2,5,8-trioxanonane 379.6
    1-hexene 301.73
    2-isopropoxyethanol 190.24
    2,2,2-trifluoroethanol 124.91
    methyl butyrate 343.32

    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