1,3-Dichlorobenzene

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  • Identifiers

    CAS number
    541-73-1

    Molecular formula
    C6H4Cl2

    SMILES
    C1=CC(=CC(=C1)Cl)Cl

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Floral 61.11%
    Woody 45.68%
    Animal 40.85%
    Phenolic 39.53%
    Sweet 34.91%
    Rose 33.13%
    Leathery 28.17%
    Dry 27.36%
    Green 26.77%
    Fruity 26.53%

     

    Flavor
    Phenolic 23.14%
    Mild 21.95%
    Penetrating 20.91%
    Nitrile 20.35%
    Very strong 19.96%
    Meaty 19.9%
    Indole 19.85%
    Flat 19.51%
    Creosote 19.22%
    Almond shell 19.16%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.5

    pKa est.
    6.22 (neutral)

    Molecular weight
    147.0 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Melting point expt.

    • -12.6 °F (NTP, 1992)
    • -24.8 °C

    Boiling point

    • 343 °F at 760 mmHg (NTP, 1992)
    • 173 °C

    Flash point

    • 65.58 ˚C est.
    • 146 °F (NTP, 1992)
    • 63 °C

    Solubility expt.

    • less than 1 mg/mL at 70 °F (NTP, 1992)
    • Sol in ethanol, ether; very soluble in acetone
    • In water, 125 mg/L at 25 °C
    • Solubility in water: none

  • Synonyms

    • 1,3-DICHLOROBENZENE
    • m-Dichlorobenzene
    • 541-73-1
    • meta-Dichlorobenzene
    • m-Dichlorobenzol
    • m-Phenylene dichloride
    • Benzene, 1,3-dichloro-
    • Metadichlorobenzene
    • Benzene, m-dichloro-
    • m-Phenylenedichloride
    • m-DCB
    • DTXSID6022056
    • 75W0WNE5FP
    • NSC-8754
    • DTXCID102056
    • CHEBI:36693
    • RefChem:800363
    • 208-792-1
    • 2,4-dichlorobenzene
    • 1,3-dichloro-benzene
    • MFCD00000573
    • 63697-17-6
    • NSC 8754
    • CAS-541-73-1
    • Dichlorobenzene, m-
    • CCRIS 4259
    • HSDB 522
    • EINECS 208-792-1
    • RCRA waste no. U071
    • UNII-75W0WNE5FP
    • m-dichlorobenzen
    • AI3-15517
    • 1,3-dichorobenzene
    • 1.3-dichlorobenzene
    • 2,6-dichlorobenzene
    • Anagrelide Impurity 36
    • Benzene, 1,3-dichloro-, radical ion(1-)
    • 1,3-bis(chloranyl)benzene
    • EC 208-792-1
    • SCHEMBL3039
    • SCHEMBL4299
    • SCHEMBL7713
    • SCHEMBL28140
    • 1,3-Dichlorobenzene, 98%
    • MLS001050090
    • CHEMBL45235
    • SCHEMBL726765
    • M-DICHLOROBENZENE [MI]
    • SCHEMBL1387621
    • SCHEMBL1713277
    • SCHEMBL11350942
    • NSC8754
    • META-DICHLOROBENZENE [IARC]
    • CS-B0931
    • 1,3-DICHLOROBENZENE [HSDB]
    • Tox21_202179
    • Tox21_300005
    • AKOS009031576
    • MSK28012-100M
    • MSK28012-1000M
    • NCGC00091197-01
    • NCGC00091197-02
    • NCGC00091197-03
    • NCGC00253960-01
    • NCGC00259728-01
    • AS-12418
    • PD124140
    • SMR001216526
    • D0333
    • NS00006298
    • S0665
    • EN300-20468
    • 541-73-1; 25321-22-6(mixedisomers)
    • C19397
    • D77223
    • 1,3-Dichlorobenzene 100 microg/mL in Methanol
    • 1,3-Dichlorobenzene 10 microg/mL in Cyclohexane
    • 1,3-Dichlorobenzene, puriss., >=99.0% (GC)
    • A830009
    • F241021
    • m-Dichlorobenzene Solution in Methanol, 100ug/mL
    • m-Dichlorobenzene Solution in Methanol, 1000ug/mL
    • Q2216854
    • 1,3-Dichlorobenzene, PESTANAL(R), analytical standard
    • F0001-1423
    • InChI=1/C6H4Cl2/c7-5-2-1-3-6(8)4-5/h1-4
    • 46536A91-5C63-4685-94E2-E2FAB9C3B34D
    • 1,3-Dichlorobenzene

  • Applications

    1,3-Dichlorobenzene (CAS 541-73-1) is primarily used as an organic synthesis intermediate and as a non-polar solvent in industrial manufacturing. It serves as a precursor for various specialty chemicals, including agrochemical and dye intermediates. It is employed as a processing solvent or diluent in coatings, inks, adhesives, and rubber/plastics processing. It can also function as a feedstock for polymer additives and other chlorinated aromatics. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 590.77
    methanol 344.71
    isopropanol 464.42
    water 0.76
    ethyl acetate 1071.6
    n-propanol 557.36
    acetone 1276.15
    n-butanol 650.67
    acetonitrile 692.73
    DMF 733.23
    toluene 1007.99
    isobutanol 444.41
    1,4-dioxane 1807.13
    methyl acetate 875.0
    THF 2058.49
    2-butanone 1141.51
    n-pentanol 501.22
    sec-butanol 595.11
    n-hexane 274.9
    ethylene glycol 91.59
    NMP 879.87
    cyclohexane 575.73
    DMSO 806.6
    n-butyl acetate 936.32
    n-octanol 406.65
    chloroform 1781.37
    n-propyl acetate 698.61
    acetic acid 541.56
    dichloromethane 1391.26
    cyclohexanone 1601.48
    propylene glycol 145.41
    isopropyl acetate 621.68
    DMAc 696.51
    2-ethoxyethanol 643.63
    isopentanol 527.97
    n-heptane 306.99
    ethyl formate 551.26
    1,2-dichloroethane 1033.15
    n-hexanol 673.83
    2-methoxyethanol 783.6
    isobutyl acetate 467.41
    tetrachloromethane 355.41
    n-pentyl acetate 526.49
    transcutol 2378.59
    n-heptanol 307.9
    ethylbenzene 458.85
    MIBK 606.63
    2-propoxyethanol 894.81
    tert-butanol 568.69
    MTBE 840.05
    2-butoxyethanol 498.05
    propionic acid 392.35
    o-xylene 515.59
    formic acid 102.09
    diethyl ether 1318.56
    m-xylene 543.2
    p-xylene 513.07
    chlorobenzene 776.46
    dimethyl carbonate 391.07
    n-octane 114.36
    formamide 207.72
    cyclopentanone 1362.76
    2-pentanone 1111.04
    anisole 875.25
    cyclopentyl methyl ether 1317.68
    gamma-butyrolactone 1148.6
    1-methoxy-2-propanol 644.57
    pyridine 1273.37
    3-pentanone 888.91
    furfural 1015.72
    n-dodecane 82.79
    diethylene glycol 531.43
    diisopropyl ether 431.09
    tert-amyl alcohol 583.1
    acetylacetone 1035.93
    n-hexadecane 95.27
    acetophenone 681.41
    methyl propionate 757.9
    isopentyl acetate 726.41
    trichloroethylene 1692.3
    n-nonanol 354.11
    cyclohexanol 920.54
    benzyl alcohol 516.66
    2-ethylhexanol 486.35
    isooctanol 262.62
    dipropyl ether 819.62
    1,2-dichlorobenzene 591.76
    ethyl lactate 272.21
    propylene carbonate 739.93
    n-methylformamide 355.22
    2-pentanol 575.4
    n-pentane 287.58
    1-propoxy-2-propanol 749.38
    1-methoxy-2-propyl acetate 759.95
    2-(2-methoxypropoxy) propanol 585.09
    mesitylene 339.71
    ε-caprolactone 1223.99
    p-cymene 312.54
    epichlorohydrin 1458.56
    1,1,1-trichloroethane 1171.29
    2-aminoethanol 184.0
    morpholine-4-carbaldehyde 1155.11
    sulfolane 1109.7
    2,2,4-trimethylpentane 130.54
    2-methyltetrahydrofuran 1767.89
    n-hexyl acetate 728.01
    isooctane 110.84
    2-(2-butoxyethoxy)ethanol 826.87
    sec-butyl acetate 520.83
    tert-butyl acetate 702.82
    decalin 209.19
    glycerin 194.87
    diglyme 1388.1
    acrylic acid 332.76
    isopropyl myristate 328.28
    n-butyric acid 695.77
    acetyl acetate 612.39
    di(2-ethylhexyl) phthalate 240.58
    ethyl propionate 570.66
    nitromethane 851.79
    1,2-diethoxyethane 1233.53
    benzonitrile 650.58
    trioctyl phosphate 197.93
    1-bromopropane 869.27
    gamma-valerolactone 1457.12
    n-decanol 276.3
    triethyl phosphate 300.17
    4-methyl-2-pentanol 306.49
    propionitrile 551.21
    vinylene carbonate 666.74
    1,1,2-trichlorotrifluoroethane 766.08
    DMS 586.92
    cumene 283.42
    2-octanol 285.12
    2-hexanone 791.59
    octyl acetate 399.09
    limonene 501.28
    1,2-dimethoxyethane 1260.65
    ethyl orthosilicate 310.25
    tributyl phosphate 259.52
    diacetone alcohol 684.2
    N,N-dimethylaniline 517.42
    acrylonitrile 538.56
    aniline 711.03
    1,3-propanediol 344.57
    bromobenzene 773.58
    dibromomethane 1128.73
    1,1,2,2-tetrachloroethane 1296.91
    2-methyl-cyclohexyl acetate 516.4
    tetrabutyl urea 323.02
    diisobutyl methanol 311.5
    2-phenylethanol 563.9
    styrene 573.87
    dioctyl adipate 424.6
    dimethyl sulfate 479.15
    ethyl butyrate 687.28
    methyl lactate 302.72
    butyl lactate 356.54
    diethyl carbonate 442.65
    propanediol butyl ether 465.51
    triethyl orthoformate 499.28
    p-tert-butyltoluene 306.75
    methyl 4-tert-butylbenzoate 505.66
    morpholine 1760.45
    tert-butylamine 403.77
    n-dodecanol 226.48
    dimethoxymethane 877.47
    ethylene carbonate 596.59
    cyrene 530.22
    2-ethoxyethyl acetate 712.93
    2-ethylhexyl acetate 645.52
    1,2,4-trichlorobenzene 743.27
    4-methylpyridine 1249.27
    dibutyl ether 711.68
    2,6-dimethyl-4-heptanol 311.5
    DEF 935.19
    dimethyl isosorbide 988.83
    tetrachloroethylene 902.96
    eugenol 479.3
    triacetin 639.11
    span 80 524.84
    1,4-butanediol 185.41
    1,1-dichloroethane 1053.46
    2-methyl-1-pentanol 458.05
    methyl formate 369.39
    2-methyl-1-butanol 565.1
    n-decane 132.55
    butyronitrile 664.29
    3,7-dimethyl-1-octanol 415.77
    1-chlorooctane 368.84
    1-chlorotetradecane 167.46
    n-nonane 145.83
    undecane 98.98
    tert-butylcyclohexane 176.48
    cyclooctane 233.16
    cyclopentanol 706.88
    tetrahydropyran 2158.72
    tert-amyl methyl ether 762.45
    2,5,8-trioxanonane 960.95
    1-hexene 604.05
    2-isopropoxyethanol 541.22
    2,2,2-trifluoroethanol 204.18
    methyl butyrate 708.08

    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