4-Chlorobenzoic Acid

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  • Identifiers

    CAS number
    74-11-3

    Molecular formula
    C7H5ClO2

    SMILES
    C1=CC(=CC=C1C(=O)O)Cl

    Safety labels

    Acute Toxic
    Acute Toxic

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Phenolic 55.25%
    Floral 45.51%
    Honey 40.43%
    Balsamic 39.46%
    Sweet 38.58%
    Animal 38.13%
    Odorless 34.51%
    Powdery 33.27%
    Aromatic 30.78%
    Bitter 30.69%

     

    Flavor
    Phenolic 51.08%
    Odorless 46.66%
    Mild 46.65%
    Nutty 40.46%
    Faint 38.15%
    Sour 34.34%
    Balsam 32.68%
    Honey 27.78%
    Balsamic 27.55%
    Urine 26.15%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    6.31 (neutral)

    Molecular weight
    156.56 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • 469 °F (NTP, 1992)
    • 243 °C
    • MP: 44 °C /p-Chlorobenzoic acid, methyl ester/

    Boiling point

    • Sublimes (NTP, 1992)

    Flash point

    • 154.38 ˚C est.
    • 238 °C
    • 238 °C (460 °F) (Closed cup)

    Solubility expt.

    • less than 1 mg/mL at 59 °F (NTP, 1992)
    • 72 mg/L (at 25 °C)
    • In water, 77 mg/L at 25 °C
    • Soluble in 5290 parts water
    • Insoluble in benzene, carbon tetrachloride; very soluble in ethanol; slightly soluble in ethyl ether, chloroform
    • Freely soluble in alcohol, ether
    • Solubility in water: none

  • Synonyms

    • 4-Chlorobenzoic acid
    • 74-11-3
    • P-CHLOROBENZOIC ACID
    • Benzoic acid, 4-chloro-
    • Chlorodracylic acid
    • p-Chlorbenzoic acid
    • Benzoic acid, p-chloro-
    • 4-CHLORO-BENZOIC ACID
    • para-Chlorobenzoic acid
    • p-Carboxychlorobenzene
    • Acido p-clorobenzoico
    • MFCD00002531
    • CCRIS 5994
    • Acido p-clorobenzoico [Italian]
    • HSDB 6019
    • EINECS 200-805-9
    • UNII-IC7888DF4L
    • NSC 32738
    • BRN 0907196
    • DTXSID9024772
    • CHEBI:30747
    • 4-chloro benzoic acid
    • AI3-03715
    • NSC-32738
    • CHLOROBENZOIC ACID, P-
    • DTXCID704772
    • IC7888DF4L
    • 4-chlorobenzoic acid-alpha-13c
    • P-CHLOROBENZOIC ACID [MI]
    • chloradracylic
    • 4-09-00-00973 (Beilstein Handbook Reference)
    • P-CHLOROBENZOIC ACID [HSDB]
    • P-CHLOROBENZOIC ACID [WHO-DD]
    • NCGC00090858-02
    • ACEMETACIN IMPURITY A [EP IMPURITY]
    • INDOMETACIN IMPURITY A [EP IMPURITY]
    • 4-Chlorobenzoicacid
    • ACEMETACIN IMPURITY A (EP IMPURITY)
    • INDOMETACIN IMPURITY A (EP IMPURITY)
    • p-chlorbenzoate
    • pChlorbenzoic acid
    • 4-chloro-benzoate
    • 4chlorobenzoic acid
    • Acido pclorobenzoico
    • pCarboxychlorobenzene
    • Acemetacin impurity A
    • paraChlorobenzoic acid
    • Benzoic acid, pchloro
    • Benzoic acid, 4chloro
    • bmse000438
    • CHEMBL618
    • NCIOpen2_004782
    • S3 (4-chlorobenzoic acid)
    • SCHEMBL28384
    • 4-Chlorobenzoic acid, 99%
    • MLS002152923
    • NSC8444
    • CS-M3680
    • NSC-8444
    • NSC32738
    • STR00110
    • p-Chlorobenzoic acid;4-CBA;Mycosid
    • Tox21_400062
    • BDBM50405318
    • STL164311
    • AKOS000118962
    • DB03728
    • FC20194
    • PS-4074
    • CAS-74-11-3
    • NCGC00090858-01
    • NCGC00090858-03
    • 4-Chlorobenzoic acid, analytical standard
    • HY-41465
    • SMR001224523
    • SY002326
    • DB-055838
    • NS00006929
    • EN300-19258
    • C02370
    • D77513
    • AE-562/40168810
    • Q2235989
    • SR-01000855009-2
    • 4-Chlorobenzoic acid, Vetec(TM) reagent grade, 98%
    • F2191-0096
    • Z104473324
    • Acemetacin impurity A, European Pharmacopoeia (EP) Reference Standard
    • 695-032-0

  • Applications

    4-Chlorobenzoic acid (CAS 74-11-3) is primarily used as an organic synthesis intermediate across multiple industry sectors. It can be converted to acid chlorides, esters, or amides to furnish pharmaceutical and agrochemical intermediates; it serves as a building block for dye and pigment precursors. It is also used to prepare substituted benzoic acid derivatives that function in polymer and coating formulations (for example via acid chloride or ester routes to benzoyl-containing polymers and resins). Additionally, it may serve as a starting material or intermediate in fragrance and cosmetic chemistry, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 128.2
    methanol 133.43
    isopropanol 96.27
    water 1.59
    ethyl acetate 61.12
    n-propanol 88.79
    acetone 94.76
    n-butanol 81.55
    acetonitrile 17.32
    DMF 295.09
    toluene 5.4
    isobutanol 58.58
    1,4-dioxane 185.88
    methyl acetate 74.89
    THF 224.71
    2-butanone 83.31
    n-pentanol 80.92
    sec-butanol 88.26
    n-hexane 2.25
    ethylene glycol 48.59
    NMP 174.88
    cyclohexane 1.73
    DMSO 178.65
    n-butyl acetate 64.58
    n-octanol 63.71
    chloroform 12.95
    n-propyl acetate 60.92
    acetic acid 88.46
    dichloromethane 18.84
    cyclohexanone 67.57
    propylene glycol 43.9
    isopropyl acetate 61.93
    DMAc 228.35
    2-ethoxyethanol 179.78
    isopentanol 78.39
    n-heptane 5.99
    ethyl formate 42.15
    1,2-dichloroethane 24.57
    n-hexanol 69.11
    2-methoxyethanol 225.54
    isobutyl acetate 38.28
    tetrachloromethane 3.24
    n-pentyl acetate 63.14
    transcutol 634.13
    n-heptanol 58.25
    ethylbenzene 7.24
    MIBK 67.71
    2-propoxyethanol 141.51
    tert-butanol 135.55
    MTBE 97.29
    2-butoxyethanol 113.74
    propionic acid 57.27
    o-xylene 10.67
    formic acid 83.68
    diethyl ether 79.92
    m-xylene 9.47
    p-xylene 10.84
    chlorobenzene 9.19
    dimethyl carbonate 48.5
    n-octane 3.07
    formamide 157.82
    cyclopentanone 91.38
    2-pentanone 70.59
    anisole 51.97
    cyclopentyl methyl ether 74.85
    gamma-butyrolactone 112.95
    1-methoxy-2-propanol 187.93
    pyridine 46.87
    3-pentanone 49.54
    furfural 109.87
    n-dodecane 3.63
    diethylene glycol 143.73
    diisopropyl ether 31.86
    tert-amyl alcohol 119.36
    acetylacetone 100.78
    n-hexadecane 3.97
    acetophenone 50.77
    methyl propionate 59.35
    isopentyl acetate 65.09
    trichloroethylene 39.01
    n-nonanol 59.94
    cyclohexanol 43.59
    benzyl alcohol 45.78
    2-ethylhexanol 44.31
    isooctanol 49.74
    dipropyl ether 51.72
    1,2-dichlorobenzene 13.12
    ethyl lactate 48.5
    propylene carbonate 66.35
    n-methylformamide 110.28
    2-pentanol 71.73
    n-pentane 3.13
    1-propoxy-2-propanol 108.56
    1-methoxy-2-propyl acetate 98.12
    2-(2-methoxypropoxy) propanol 143.17
    mesitylene 10.16
    ε-caprolactone 81.41
    p-cymene 15.85
    epichlorohydrin 135.96
    1,1,1-trichloroethane 13.75
    2-aminoethanol 84.62
    morpholine-4-carbaldehyde 218.56
    sulfolane 145.28
    2,2,4-trimethylpentane 4.03
    2-methyltetrahydrofuran 129.55
    n-hexyl acetate 88.0
    isooctane 4.01
    2-(2-butoxyethoxy)ethanol 207.19
    sec-butyl acetate 53.92
    tert-butyl acetate 99.33
    decalin 2.63
    glycerin 84.08
    diglyme 330.32
    acrylic acid 58.22
    isopropyl myristate 45.39
    n-butyric acid 60.85
    acetyl acetate 49.13
    di(2-ethylhexyl) phthalate 40.53
    ethyl propionate 51.13
    nitromethane 143.2
    1,2-diethoxyethane 150.91
    benzonitrile 26.7
    trioctyl phosphate 32.86
    1-bromopropane 11.67
    gamma-valerolactone 146.1
    n-decanol 46.18
    triethyl phosphate 39.55
    4-methyl-2-pentanol 55.94
    propionitrile 20.28
    vinylene carbonate 51.14
    1,1,2-trichlorotrifluoroethane 114.07
    DMS 67.17
    cumene 9.24
    2-octanol 44.95
    2-hexanone 71.79
    octyl acetate 55.77
    limonene 24.66
    1,2-dimethoxyethane 227.71
    ethyl orthosilicate 39.4
    tributyl phosphate 38.4
    diacetone alcohol 136.62
    N,N-dimethylaniline 44.48
    acrylonitrile 26.74
    aniline 23.28
    1,3-propanediol 113.54
    bromobenzene 6.06
    dibromomethane 9.13
    1,1,2,2-tetrachloroethane 38.73
    2-methyl-cyclohexyl acetate 56.45
    tetrabutyl urea 55.96
    diisobutyl methanol 37.76
    2-phenylethanol 53.5
    styrene 8.31
    dioctyl adipate 64.37
    dimethyl sulfate 84.57
    ethyl butyrate 54.56
    methyl lactate 64.62
    butyl lactate 62.96
    diethyl carbonate 39.13
    propanediol butyl ether 133.07
    triethyl orthoformate 49.66
    p-tert-butyltoluene 17.32
    methyl 4-tert-butylbenzoate 85.15
    morpholine 181.78
    tert-butylamine 68.92
    n-dodecanol 35.28
    dimethoxymethane 194.32
    ethylene carbonate 41.21
    cyrene 117.95
    2-ethoxyethyl acetate 105.5
    2-ethylhexyl acetate 48.81
    1,2,4-trichlorobenzene 21.13
    4-methylpyridine 38.93
    dibutyl ether 60.84
    2,6-dimethyl-4-heptanol 37.76
    DEF 98.76
    dimethyl isosorbide 186.43
    tetrachloroethylene 27.58
    eugenol 92.74
    triacetin 106.29
    span 80 110.79
    1,4-butanediol 57.12
    1,1-dichloroethane 13.33
    2-methyl-1-pentanol 72.37
    methyl formate 80.16
    2-methyl-1-butanol 68.11
    n-decane 5.39
    butyronitrile 25.41
    3,7-dimethyl-1-octanol 56.63
    1-chlorooctane 23.89
    1-chlorotetradecane 11.86
    n-nonane 4.49
    undecane 4.35
    tert-butylcyclohexane 3.59
    cyclooctane 1.24
    cyclopentanol 58.0
    tetrahydropyran 90.6
    tert-amyl methyl ether 82.18
    2,5,8-trioxanonane 264.61
    1-hexene 10.89
    2-isopropoxyethanol 126.51
    2,2,2-trifluoroethanol 51.32
    methyl butyrate 62.64

    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