Chlorobenzene

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  • Identifiers

    CAS number
    108-90-7

    Molecular formula
    C6H5Cl

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

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Floral 65.7%
    Sweet 53.36%
    Green 50.85%
    Rose 49.8%
    Woody 36.49%
    Phenolic 35.82%
    Geranium 33.94%
    Animal 31.87%
    Metallic 31.81%
    Earthy 31.06%

     

    Flavor
    Phenolic 29.97%
    Garlic 27.02%
    Plastic 25.97%
    Medicinal 25.77%
    Penetrating 23.99%
    Sulfurous 23.39%
    Fishy 22.53%
    Phenol 21.43%
    Egg 21.38%
    Tar 21.25%

     

    Odor impact est.
    Low

    Odor threshold

    • Odor Threshold Low: 0.08 [mmHg]. Odor Threshold High: 5.9 [mmHg]. Detection odor threshold from AIHA (mean = 1.3 ppm)
    • Odor recognition in air: 2.10x10-1 ppm.
    • Odor Low, 0.98 mg/cu m; Odor High, 280.0 mg/cu m

  • Properties

    XLogP3-AA
    2.9

    pKa est.
    6.45 (neutral)

    Molecular weight
    112.55 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Melting point expt.

    • -49 °F (NTP, 1992)
    • -45.2 °C
    • -45 °C
    • -50 °F

    Boiling point

    • 270 °F at 760 mmHg (NTP, 1992)
    • 131.6 °C
    • 132 °C
    • 270 °F

    Flash point

    • 29.45 ˚C est.
    • 75 °F (NTP, 1992)
    • 29.2 °C
    • 82 °F (Closed Cup) 28 °C
    • 97 °F (open cup)
    • 27 °C c.c.
    • 75 °F
    • 82 °F

    Solubility expt.

    • less than 1 mg/mL at 68 °F (NTP, 1992)
    • In water, 499 mg/L at 25 °C
    • In water, 0.05 g/100g at 20 °C
    • Miscible in ethanol, ethyl ether; very soluble in benzene, carbon tetrachloride
    • Freely soluble in chloroform
    • For more Solubility (Complete) data for CHLOROBENZENE (6 total), please visit the HSDB record page.
    • 0.498 mg/mL at 25 °C
    • Solubility in water, g/100ml at 20 °C: 0.05
    • 0.05%

  • Synonyms

    • CHLOROBENZENE
    • 108-90-7
    • Monochlorobenzene
    • Phenyl chloride
    • Benzene chloride
    • Chlorobenzol
    • Benzene, chloro-
    • Chlorbenzene
    • Monochlorbenzene
    • Chlorobenzen
    • Monochlorbenzol
    • Chlorbenzol
    • Tetrosin SP
    • Clorobenzene
    • Chloorbenzeen
    • chloro-benzene
    • Monoclorobenzene
    • Monochloorbenzeen
    • Chlorobenzene, mono-
    • Chlorobenzenu
    • PhCl
    • chloro benzene
    • Caswell No. 183A
    • I P Carrier T 40
    • Abluton T30
    • CP 27
    • NCI-C54886
    • NSC 8433
    • HSDB 55
    • IP Carrier T 40
    • CCRIS 1357
    • 4-chlorobenzene
    • mono-chlorobenzene
    • NSC-8433
    • EINECS 203-628-5
    • UN1134
    • EPA Pesticide Chemical Code 056504
    • UNII-K18102WN1G
    • DTXSID4020298
    • CHEBI:28097
    • AI3-07776
    • K18102WN1G
    • EINECS 270-127-6
    • CHLOROBENZENE [MI]
    • MCB
    • CHLOROBENZENE [HSDB]
    • DTXCID40298
    • CHLOROBENZENE [USP-RS]
    • EC 203-628-5
    • Benzene-13C6, chloro- (9CI)
    • MFCD00000530
    • UN 1134
    • CHLOROBENZENE (USP-RS)
    • Chloorbenzeen [Dutch]
    • Chlorobenzen [Polish]
    • Chlorobenzenu [Czech]
    • Chlorobenzene, analytical standard
    • Clorobenzene [Italian]
    • Monochlorbenzol [German]
    • Monochloorbenzeen [Dutch]
    • Monoclorobenzene [Italian]
    • C6H5Cl
    • RCRA waste no. U037
    • chlorobezene
    • chorobenzene
    • chlor-benzene
    • chloranylbenzene
    • p-chlorobenzene
    • 1-chlorobenzene
    • 3-chlorobenzene
    • benzene, chloro
    • p-chlorobenzene-
    • Chlorobenzol(DOT)
    • Ph-Cl
    • Caswell No 183A
    • Chloorbenzeen(DUTCH)
    • Chlorobenzen(POLISH)
    • Clorobenzene(ITALIAN)
    • Chlorobenzene ACS grade
    • Chlorobenzene(ITALIAN)
    • Monochlorbenzol(GERMAN)
    • Monochloorbenzeen(DUTCH)
    • WLN: GR
    • CHLOROBENZENE, MONO
    • Monoclorobenzene(ITALIAN)
    • bmse001030
    • SCHEMBL2044
    • Chlorobenzene (ACGIH:OSHA)
    • BIDD:ER0289
    • CHEMBL16200
    • Chlorobenzene, LR, >=99%
    • Chlorobenzene (ACD/Name 4.0)
    • Chlorobenzene, p.a., 99.5%
    • Chlorobenzene, AR, >=99.5%
    • NSC8433
    • Chlorobenzene, anhydrous, 99.8%
    • Chlorobenzene, for HPLC, 99.9%
    • JCA16410
    • Tox21_201223
    • MSK000092
    • STL282731
    • Chlorobenzene, ReagentPlus(R), 99%
    • AKOS000120122
    • USEPA/OPP Pesticide Code: 056504
    • Chlorobenzene 10 microg/mL in Isooctane
    • Chlorobenzene 100 microg/mL in Methanol
    • Chlorobenzene, ACS reagent, >=99.5%
    • NCGC00091678-01
    • NCGC00091678-02
    • NCGC00258775-01
    • AI-07776
    • CAS-108-90-7
    • PS-11980
    • Chlorobenzene, SAJ first grade, >=99.0%
    • C1948
    • NS00010206
    • S0645
    • Chlorobenzene [UN1134] [Flammable liquid]
    • Chlorobenzene, SAJ special grade, >=99.5%
    • EN300-18065
    • C06990
    • Chlorobenzene, anhydrous, ZerO2(TM), 99.8%
    • Chlorobenzene, UV HPLC spectroscopic, 99.5%
    • A801940
    • Q407768
    • F0001-0183
    • Chlorobenzene, puriss. p.a., ACS reagent, >=99.5% (GC)
    • Chlorobenzene, Pharmaceutical Secondary Standard; Certified Reference Material

  • Applications

    Chlorobenzene (CAS 108-90-7) is used as an industrial solvent in applications such as coatings, paints, inks, and adhesives; it functions as an intermediate in the synthesis of chlorinated aromatic compounds, dyes, and pigments; it serves as a feedstock for agrochemicals (pesticides) and pharmaceutical intermediates; and it provides raw material for the production of specialty polymers and resins.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 235.75
    methanol 133.84
    isopropanol 195.93
    water 0.38
    ethyl acetate 710.96
    n-propanol 234.48
    acetone 760.58
    n-butanol 242.25
    acetonitrile 605.73
    DMF 478.02
    toluene 383.9
    isobutanol 175.81
    1,4-dioxane 1024.19
    methyl acetate 669.67
    THF 894.82
    2-butanone 809.4
    n-pentanol 210.13
    sec-butanol 256.72
    n-hexane 110.99
    ethylene glycol 33.18
    NMP 483.43
    cyclohexane 129.62
    DMSO 554.62
    n-butyl acetate 733.68
    n-octanol 181.58
    chloroform 1300.38
    n-propyl acetate 534.16
    acetic acid 331.61
    dichloromethane 1142.64
    cyclohexanone 834.16
    propylene glycol 57.24
    isopropyl acetate 364.04
    DMAc 498.23
    2-ethoxyethanol 305.65
    isopentanol 223.87
    n-heptane 126.8
    ethyl formate 319.13
    1,2-dichloroethane 765.07
    n-hexanol 303.04
    2-methoxyethanol 339.72
    isobutyl acetate 305.45
    tetrachloromethane 217.51
    n-pentyl acetate 329.18
    transcutol 1929.37
    n-heptanol 152.47
    ethylbenzene 237.73
    MIBK 329.87
    2-propoxyethanol 407.31
    tert-butanol 286.71
    MTBE 451.88
    2-butoxyethanol 273.4
    propionic acid 277.59
    o-xylene 220.73
    formic acid 51.71
    diethyl ether 646.32
    m-xylene 208.92
    p-xylene 295.96
    chlorobenzene 424.43
    dimethyl carbonate 194.26
    n-octane 43.47
    formamide 131.7
    cyclopentanone 810.4
    2-pentanone 590.81
    anisole 527.75
    cyclopentyl methyl ether 458.41
    gamma-butyrolactone 795.99
    1-methoxy-2-propanol 294.05
    pyridine 885.49
    3-pentanone 498.55
    furfural 718.71
    n-dodecane 31.37
    diethylene glycol 213.17
    diisopropyl ether 206.32
    tert-amyl alcohol 307.49
    acetylacetone 626.27
    n-hexadecane 35.91
    acetophenone 435.54
    methyl propionate 448.37
    isopentyl acetate 525.09
    trichloroethylene 1472.77
    n-nonanol 167.12
    cyclohexanol 263.9
    benzyl alcohol 247.59
    2-ethylhexanol 258.87
    isooctanol 138.77
    dipropyl ether 495.27
    1,2-dichlorobenzene 371.04
    ethyl lactate 153.48
    propylene carbonate 483.94
    n-methylformamide 214.44
    2-pentanol 228.07
    n-pentane 77.63
    1-propoxy-2-propanol 377.05
    1-methoxy-2-propyl acetate 473.12
    2-(2-methoxypropoxy) propanol 369.21
    mesitylene 139.83
    ε-caprolactone 713.74
    p-cymene 170.26
    epichlorohydrin 913.32
    1,1,1-trichloroethane 809.99
    2-aminoethanol 80.72
    morpholine-4-carbaldehyde 695.12
    sulfolane 725.82
    2,2,4-trimethylpentane 48.88
    2-methyltetrahydrofuran 750.52
    n-hexyl acetate 438.71
    isooctane 40.08
    2-(2-butoxyethoxy)ethanol 498.83
    sec-butyl acetate 343.76
    tert-butyl acetate 419.02
    decalin 80.93
    glycerin 84.56
    diglyme 986.29
    acrylic acid 228.94
    isopropyl myristate 204.5
    n-butyric acid 399.3
    acetyl acetate 434.77
    di(2-ethylhexyl) phthalate 145.81
    ethyl propionate 391.96
    nitromethane 687.66
    1,2-diethoxyethane 909.02
    benzonitrile 406.12
    trioctyl phosphate 105.97
    1-bromopropane 503.22
    gamma-valerolactone 919.67
    n-decanol 128.21
    triethyl phosphate 191.63
    4-methyl-2-pentanol 141.55
    propionitrile 369.71
    vinylene carbonate 459.44
    1,1,2-trichlorotrifluoroethane 531.53
    DMS 389.52
    cumene 155.1
    2-octanol 128.6
    2-hexanone 544.63
    octyl acetate 238.21
    limonene 243.65
    1,2-dimethoxyethane 740.74
    ethyl orthosilicate 193.98
    tributyl phosphate 149.9
    diacetone alcohol 385.84
    N,N-dimethylaniline 303.34
    acrylonitrile 410.51
    aniline 288.68
    1,3-propanediol 148.01
    bromobenzene 491.68
    dibromomethane 787.19
    1,1,2,2-tetrachloroethane 1011.2
    2-methyl-cyclohexyl acetate 334.41
    tetrabutyl urea 193.87
    diisobutyl methanol 170.45
    2-phenylethanol 291.39
    styrene 315.92
    dioctyl adipate 275.55
    dimethyl sulfate 282.99
    ethyl butyrate 511.26
    methyl lactate 152.71
    butyl lactate 215.09
    diethyl carbonate 316.99
    propanediol butyl ether 245.17
    triethyl orthoformate 322.86
    p-tert-butyltoluene 160.6
    methyl 4-tert-butylbenzoate 316.28
    morpholine 890.56
    tert-butylamine 198.5
    n-dodecanol 103.13
    dimethoxymethane 386.68
    ethylene carbonate 357.16
    cyrene 278.38
    2-ethoxyethyl acetate 474.61
    2-ethylhexyl acetate 456.28
    1,2,4-trichlorobenzene 450.2
    4-methylpyridine 698.54
    dibutyl ether 424.95
    2,6-dimethyl-4-heptanol 170.45
    DEF 489.31
    dimethyl isosorbide 619.1
    tetrachloroethylene 633.11
    eugenol 308.36
    triacetin 441.63
    span 80 304.64
    1,4-butanediol 70.3
    1,1-dichloroethane 742.27
    2-methyl-1-pentanol 228.46
    methyl formate 192.61
    2-methyl-1-butanol 225.18
    n-decane 52.26
    butyronitrile 399.53
    3,7-dimethyl-1-octanol 220.68
    1-chlorooctane 191.11
    1-chlorotetradecane 78.92
    n-nonane 55.21
    undecane 38.56
    tert-butylcyclohexane 77.25
    cyclooctane 56.22
    cyclopentanol 233.5
    tetrahydropyran 891.26
    tert-amyl methyl ether 369.63
    2,5,8-trioxanonane 672.5
    1-hexene 316.62
    2-isopropoxyethanol 273.61
    2,2,2-trifluoroethanol 113.47
    methyl butyrate 512.14

    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