1,2-Dichlorobenzene

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  • Identifiers

    CAS number
    95-50-1

    Molecular formula
    C6H4Cl2

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

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Phenolic 41.97%
    Floral 40.1%
    Sweet 35.63%
    Animal 34.46%
    Burnt 28.02%
    Smoky 26.89%
    Medicinal 26.75%
    Woody 26.72%
    Musty 26.52%
    Leathery 26.28%

     

    Flavor
    Meaty 32.91%
    Sulfurous 28.9%
    Mild 24.42%
    Phenolic 23.66%
    Egg 23.05%
    Penetrating 21.81%
    Onion 21.74%
    Very strong 21.49%
    Garlic 21.38%
    Fishy 21.31%

     

    Odor impact est.
    Low

    Odor threshold

    • Odor Threshold Low: 0.02 [mmHg]. Odor Threshold High: 50.0 [mmHg]. Detection odor threshold from AIHA (mean = 0.70 ppm)
    • Odor of o-dichlorobenzene is detectable by avg person at 50 ppm in air. Odor becomes strong & irritation noticeable at ... concn around 100 ppm. It has fair warning properties at this level but possibility of adaptation should be recognized.
    • Odor threshold low= 12.0 mg/cu-m, Odor threshold high= 300.0 mg/cu-m, Irritating concentration= 150.0 mg/cu-m (From table).
    • Odor threshold : 1.8 mg/cu m
    • Human olfactory detection threshold for o-dichlorobenzene: 0.3 ppm (= ca. 0.00183 mg/L)

  • Properties

    XLogP3-AA
    3.4

    pKa est.
    5.74 (weak acid)

    Molecular weight
    147.0 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Melting point expt.

    • 1 °F (NTP, 1992)
    • -16.7 °C
    • -17 °C
    • 1 °F

    Boiling point

    • 356.9 °F at 760 mmHg (NTP, 1992)
    • 180.1 °C at 760 mm Hg
    • 180-183 °C
    • 357 °F

    Flash point

    • 67.18 ˚C est.
    • 151 °F (NTP, 1992)
    • 151 °F
    • 155 °F (Open Cup); 151 °F (Closed Cup)
    • 68 °C, closed cup; 74 °C, open cup
    • 66 °C c.c.

    Solubility expt.

    • less than 1 mg/mL at 76.1 °F (NTP, 1992)
    • Miscible with alcohol, ether, benzene.
    • In water, 156 mg/L at 25 °C
    • Solubility in water: very poor
    • 0.01%

  • Synonyms

    • 1,2-DICHLOROBENZENE
    • o-Dichlorobenzene
    • 95-50-1
    • ortho-Dichlorobenzene
    • o-Dichlorbenzol
    • 2-Dichlorobenzene
    • Chloroben
    • Dilantin DB
    • ODCB
    • o-Dichlorobenzol
    • Orthodichlorobenzol
    • Orthodichlorobenzene
    • Cloroben
    • Termitkil
    • Dizene
    • o-Dichlorbenzene
    • Dowtherm E
    • Benzene, 1,2-dichloro-
    • Benzene, o-dichloro-
    • Dilatin DB
    • Dichlorobenzene, o-
    • 1,2-Dichlorbenzene
    • NCI-C54944
    • o-DCB
    • 1,2-Dichloro-Benzene
    • NSC 60644
    • ODB
    • o-Dichlor benzol
    • 6PJ93I88XL
    • Chloroden
    • DTXSID6020430
    • CHEBI:35290
    • NSC-60644
    • NCGC00090825-01
    • 95-50-1; 25321-22-6(mixedisomers)
    • DTXCID00430
    • 1,2 dichlorobenzene
    • Caswell No. 301
    • Dichlorobenzenes
    • CAS-95-50-1
    • Dichlorobenzene, ortho, liquid
    • CCRIS 1360
    • HSDB 521
    • EINECS 202-425-9
    • UN1591
    • RCRA waste no. U070
    • EPA Pesticide Chemical Code 059401
    • UNII-6PJ93I88XL
    • o-dichlorobezene
    • AI3-00053
    • 0-dichlorobenzene
    • o-dichloro benzene
    • o-dichloro-benzene
    • 1,2-dichlorobenzen
    • ortho dichlorobenzene
    • MFCD00000535
    • 1,2-dichiorobenzene
    • 1.2-dichlorobenzene
    • 2,3-dichlorobenzene
    • 3,4-dichlorobenzene
    • Benzene,2-dichloro-
    • Dichlorobenzene, ortho
    • 1 ,2-dichlorobenzene
    • 1, 2 dichlorobenzene
    • 1,2-dichlor-obenzene
    • 1,2-dichloro benzene
    • 1,2-Di-chlorobenzene
    • 1,2-Dichlorobenzene (o-dichlorobenzene)
    • WLN: GR BG
    • 1,2-bis(chloranyl)benzene
    • EC 202-425-9
    • SCHEMBL5190
    • 1 pound not2-Dichlorobenzene
    • BENZENE,1,2-DICHLORO
    • BIDD:ER0678
    • O-DICHLOROBENZENE [MI]
    • CHEMBL298461
    • BCP08071
    • MSK28011
    • NSC60644
    • ORTHO-DICHLOROBENZENE [HSDB]
    • ORTHO-DICHLOROBENZENE [IARC]
    • ORTHODICHLOROBENZENE [MART.]
    • Tox21_111030
    • Tox21_202157
    • Tox21_300046
    • STL283948
    • 1,2-Dichlorobenzene, LR, >=98%
    • AKOS000120142
    • 1,2-Dichlorobenzene, anhydrous, 99%
    • DB13963
    • GF-0116
    • UN 1591
    • 1,2-Dichlorbenzol;1,2-dichloro-benzen
    • 1,2-Dichlorobenzene, for HPLC, 99%
    • NCGC00090825-02
    • NCGC00090825-03
    • NCGC00253914-01
    • NCGC00259706-01
    • 1,2-dichlorobenzene ortho-dichlorobenzene
    • 1,3-Cyclohexadien-5-yne,1,2-dichloro-
    • BP-31152
    • PD077456
    • DB-045754
    • 1,2-Dichlorobenzene, ReagentPlus(R), 99%
    • D1116
    • NS00008007
    • S0668
    • 1,2-Dichlorobenzene, for synthesis, 99.0%
    • 1,2-Dichlorobenzene 100 microg/mL in Methanol
    • 1,2-Dichlorobenzene 10 microg/mL in Cyclohexane
    • A845316
    • Q2609815
    • o-Dichlorobenzene [UN1591] [Keep away from food]
    • 1,2-Dichlorobenzene, PESTANAL(R), analytical standard
    • F1908-0113
    • InChI=1/C6H4Cl2/c7-5-3-1-2-4-6(5)8/h1-4
    • YAN

  • Applications

    1,2-Dichlorobenzene (CAS 95-50-1) is used primarily as a solvent and as an intermediate in the synthesis of chlorinated aromatic compounds. In industry, it serves as a solvent for coatings, varnishes, adhesives, and printing inks; as a raw material in the processing of plastics and polymers; and as a precursor for other chlorinated aromatics in various industrial chemical sequences, with applications governed by applicable regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 121.36
    methanol 71.89
    isopropanol 119.71
    water 0.2
    ethyl acetate 848.3
    n-propanol 139.0
    acetone 1225.48
    n-butanol 168.31
    acetonitrile 516.27
    DMF 1023.19
    toluene 739.47
    isobutanol 134.82
    1,4-dioxane 1377.45
    methyl acetate 908.85
    THF 1635.49
    2-butanone 943.8
    n-pentanol 155.13
    sec-butanol 166.56
    n-hexane 153.91
    ethylene glycol 20.95
    NMP 1395.14
    cyclohexane 387.22
    DMSO 702.59
    n-butyl acetate 856.49
    n-octanol 167.87
    chloroform 2109.98
    n-propyl acetate 630.97
    acetic acid 286.76
    dichloromethane 1988.97
    cyclohexanone 1679.71
    propylene glycol 32.92
    isopropyl acetate 511.68
    DMAc 953.59
    2-ethoxyethanol 267.15
    isopentanol 175.98
    n-heptane 188.47
    ethyl formate 518.59
    1,2-dichloroethane 1391.08
    n-hexanol 216.56
    2-methoxyethanol 308.82
    isobutyl acetate 358.33
    tetrachloromethane 574.0
    n-pentyl acetate 489.68
    transcutol 1220.36
    n-heptanol 139.42
    ethylbenzene 409.34
    MIBK 438.18
    2-propoxyethanol 357.19
    tert-butanol 218.45
    MTBE 469.88
    2-butoxyethanol 249.19
    propionic acid 228.79
    o-xylene 441.55
    formic acid 47.49
    diethyl ether 643.09
    m-xylene 418.36
    p-xylene 545.25
    chlorobenzene 940.24
    dimethyl carbonate 374.21
    n-octane 82.81
    formamide 152.17
    cyclopentanone 1724.4
    2-pentanone 767.23
    anisole 770.26
    cyclopentyl methyl ether 862.71
    gamma-butyrolactone 1590.7
    1-methoxy-2-propanol 255.23
    pyridine 1245.8
    3-pentanone 761.61
    furfural 1389.72
    n-dodecane 51.87
    diethylene glycol 181.31
    diisopropyl ether 264.76
    tert-amyl alcohol 227.56
    acetylacetone 1108.99
    n-hexadecane 61.41
    acetophenone 741.63
    methyl propionate 604.71
    isopentyl acetate 638.92
    trichloroethylene 3031.91
    n-nonanol 160.51
    cyclohexanol 336.03
    benzyl alcohol 354.98
    2-ethylhexanol 243.33
    isooctanol 135.48
    dipropyl ether 529.33
    1,2-dichlorobenzene 941.42
    ethyl lactate 180.07
    propylene carbonate 894.18
    n-methylformamide 351.76
    2-pentanol 171.68
    n-pentane 128.35
    1-propoxy-2-propanol 344.94
    1-methoxy-2-propyl acetate 648.85
    2-(2-methoxypropoxy) propanol 331.49
    mesitylene 305.99
    ε-caprolactone 1201.12
    p-cymene 288.56
    epichlorohydrin 1569.12
    1,1,1-trichloroethane 1766.36
    2-aminoethanol 48.59
    morpholine-4-carbaldehyde 1217.19
    sulfolane 1603.82
    2,2,4-trimethylpentane 83.9
    2-methyltetrahydrofuran 1243.52
    n-hexyl acetate 572.84
    isooctane 65.71
    2-(2-butoxyethoxy)ethanol 407.59
    sec-butyl acetate 413.22
    tert-butyl acetate 592.27
    decalin 156.69
    glycerin 52.35
    diglyme 1068.86
    acrylic acid 233.86
    isopropyl myristate 264.75
    n-butyric acid 376.91
    acetyl acetate 657.18
    di(2-ethylhexyl) phthalate 193.92
    ethyl propionate 527.77
    nitromethane 1034.74
    1,2-diethoxyethane 887.09
    benzonitrile 668.97
    trioctyl phosphate 148.2
    1-bromopropane 729.5
    gamma-valerolactone 1739.88
    n-decanol 128.88
    triethyl phosphate 309.16
    4-methyl-2-pentanol 121.31
    propionitrile 355.46
    vinylene carbonate 874.23
    1,1,2-trichlorotrifluoroethane 763.62
    DMS 635.93
    cumene 246.78
    2-octanol 133.07
    2-hexanone 605.54
    octyl acetate 305.07
    limonene 419.26
    1,2-dimethoxyethane 946.21
    ethyl orthosilicate 296.6
    tributyl phosphate 215.18
    diacetone alcohol 423.96
    N,N-dimethylaniline 457.91
    acrylonitrile 503.35
    aniline 449.45
    1,3-propanediol 97.78
    bromobenzene 1217.33
    dibromomethane 1371.46
    1,1,2,2-tetrachloroethane 1965.62
    2-methyl-cyclohexyl acetate 451.19
    tetrabutyl urea 291.27
    diisobutyl methanol 193.87
    2-phenylethanol 376.03
    styrene 576.72
    dioctyl adipate 363.61
    dimethyl sulfate 603.64
    ethyl butyrate 679.94
    methyl lactate 192.78
    butyl lactate 253.34
    diethyl carbonate 479.05
    propanediol butyl ether 189.02
    triethyl orthoformate 443.18
    p-tert-butyltoluene 277.47
    methyl 4-tert-butylbenzoate 455.97
    morpholine 1093.19
    tert-butylamine 170.08
    n-dodecanol 110.02
    dimethoxymethane 660.74
    ethylene carbonate 710.8
    cyrene 391.38
    2-ethoxyethyl acetate 649.5
    2-ethylhexyl acetate 604.48
    1,2,4-trichlorobenzene 1014.31
    4-methylpyridine 1209.13
    dibutyl ether 476.15
    2,6-dimethyl-4-heptanol 193.87
    DEF 875.55
    dimethyl isosorbide 783.81
    tetrachloroethylene 1448.62
    eugenol 374.01
    triacetin 569.53
    span 80 292.43
    1,4-butanediol 59.16
    1,1-dichloroethane 1258.2
    2-methyl-1-pentanol 168.32
    methyl formate 422.82
    2-methyl-1-butanol 166.79
    n-decane 85.78
    butyronitrile 404.77
    3,7-dimethyl-1-octanol 203.75
    1-chlorooctane 267.11
    1-chlorotetradecane 120.31
    n-nonane 92.91
    undecane 63.34
    tert-butylcyclohexane 122.62
    cyclooctane 174.32
    cyclopentanol 346.8
    tetrahydropyran 1223.78
    tert-amyl methyl ether 430.03
    2,5,8-trioxanonane 660.24
    1-hexene 323.23
    2-isopropoxyethanol 240.37
    2,2,2-trifluoroethanol 152.19
    methyl butyrate 699.34

    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