5-Chlorosalicylic Acid

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  • Identifiers

    CAS number
    321-14-2

    Molecular formula
    C7H5ClO3

    SMILES
    C1=CC(=C(C=C1Cl)C(=O)O)O

    Safety labels

    Acute Toxic
    Acute Toxic

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Phenolic 61.29%
    Odorless 51.41%
    Bitter 32.82%
    Balsamic 31.45%
    Sweet 30.47%
    Medicinal 29.21%
    Aromatic 27.61%
    Animal 27.55%
    Burnt 27.46%
    Vanilla 25.98%

     

    Flavor
    Phenolic 56.93%
    Odorless 52.32%
    Mild 51.24%
    Nutty 41.01%
    Faint 29.84%
    Bitter 29.25%
    Sour 27.51%
    Urine 23.96%
    Very mild 23.85%
    Cadaverous 22.73%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.1

    pKa est.
    7.31 (neutral)

    Molecular weight
    172.56 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    309°C

    Flash point

    • 151.54 ˚C est.

  • Synonyms

    • 5-CHLOROSALICYLIC ACID
    • 5-Chloro-2-hydroxybenzoic acid
    • 321-14-2
    • Benzoic acid, 5-chloro-2-hydroxy-
    • 2-Hydroxy-5-chlorobenzoic acid
    • 5 CSA
    • Salicylic acid, 5-chloro-
    • J2YFG68VCZ
    • NSC-30111
    • DTXSID7059806
    • CHEBI:420128
    • RefChem:102404
    • DTXCID1038452
    • 206-283-9
    • MFCD00002457
    • 5-Chloro-2-hydroxy-benzoic acid
    • 5-chloro salicylic acid
    • CHEMBL1375
    • 5-Chloro-2-hydroxybenzoicacid
    • CCRIS 4485
    • EINECS 206-283-9
    • UNII-J2YFG68VCZ
    • NSC 30111
    • BRN 2046665
    • AI3-22259
    • 5-Chloro-2-hydroxybenzoic Acid; NSC 30111; 2-Hydroxy-5-chlorobenzoic Acid;
    • 5-chloro-salicylic acid
    • 5-chloro-salicyclic acid
    • 5-ChlorsalicylsA currencyure
    • Oprea1_451559
    • 4-10-00-00207 (Beilstein Handbook Reference)
    • SCHEMBL130605
    • 5-Chlorosalicylic acid, 98%
    • 2-hydroxy 5-chlorobenzoic acid
    • orb2939790
    • SCHEMBL1804895
    • SCHEMBL4336065
    • SCHEMBL29499764
    • 5-chloro-2-hydroxy benzoic acid
    • NSC30111
    • BDBM50240969
    • EBC-03244
    • SBB065767
    • STL163471
    • AKOS000120502
    • CS-W017582
    • FC38942
    • FS-3270
    • HY-W016866
    • AC-10403
    • PD182541
    • SY012677
    • NS00009907
    • ST50825026
    • EN300-21514
    • 5-chlorosalicylic acid kosher & halal certified
    • 5-Chlorosalicylic acidKosher & Halal certified
    • F079860
    • Q27225743
    • F0211-0006
    • Z104500560
    • InChI=1/C7H5ClO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,(H,10,11
    • 321-14-2

  • Applications

    5-Chlorosalicylic acid, CAS 321-14-2, is an aryl carboxylic acid derivative with a chlorine substituent at position 5, primarily used as an intermediate in organic synthesis. In industry, it is commonly employed as a building block for the preparation of pharmaceutical and agrochemical intermediates and for the synthesis of functional aromatic compounds. It also serves as a precursor for materials in the polymer, coatings, and inks sectors, where the chlorinated salicylate framework can be transformed into derivatives that act as monomers, stabilizers, or additives. Additionally, it may be considered for fragrance or personal care chemistry as a specialty intermediate, depending on formulation and regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 67.73
    methanol 77.31
    isopropanol 67.97
    water 4.55
    ethyl acetate 34.74
    n-propanol 55.8
    acetone 87.61
    n-butanol 55.66
    acetonitrile 13.96
    DMF 647.7
    toluene 3.86
    isobutanol 48.0
    1,4-dioxane 50.66
    methyl acetate 37.29
    THF 666.56
    2-butanone 74.34
    n-pentanol 68.1
    sec-butanol 64.62
    n-hexane 2.58
    ethylene glycol 71.57
    NMP 218.33
    cyclohexane 0.42
    DMSO 419.63
    n-butyl acetate 39.23
    n-octanol 47.37
    chloroform 8.26
    n-propyl acetate 51.4
    acetic acid 21.97
    dichloromethane 7.47
    cyclohexanone 58.05
    propylene glycol 52.77
    isopropyl acetate 43.62
    DMAc 423.82
    2-ethoxyethanol 150.74
    isopentanol 64.03
    n-heptane 3.6
    ethyl formate 29.68
    1,2-dichloroethane 14.55
    n-hexanol 80.15
    2-methoxyethanol 191.09
    isobutyl acetate 29.08
    tetrachloromethane 5.35
    n-pentyl acetate 33.68
    transcutol 74.79
    n-heptanol 58.42
    ethylbenzene 9.37
    MIBK 80.69
    2-propoxyethanol 171.57
    tert-butanol 124.02
    MTBE 57.8
    2-butoxyethanol 94.33
    propionic acid 27.48
    o-xylene 8.12
    formic acid 37.37
    diethyl ether 22.95
    m-xylene 11.31
    p-xylene 12.08
    chlorobenzene 4.86
    dimethyl carbonate 53.03
    n-octane 2.14
    formamide 73.66
    cyclopentanone 184.15
    2-pentanone 85.25
    anisole 49.07
    cyclopentyl methyl ether 96.25
    gamma-butyrolactone 142.27
    1-methoxy-2-propanol 201.42
    pyridine 17.99
    3-pentanone 44.45
    furfural 78.72
    n-dodecane 2.6
    diethylene glycol 157.7
    diisopropyl ether 18.07
    tert-amyl alcohol 100.86
    acetylacetone 91.18
    n-hexadecane 2.84
    acetophenone 47.04
    methyl propionate 56.1
    isopentyl acetate 37.68
    trichloroethylene 21.85
    n-nonanol 43.68
    cyclohexanol 31.25
    benzyl alcohol 40.36
    2-ethylhexanol 41.79
    isooctanol 44.48
    dipropyl ether 39.94
    1,2-dichlorobenzene 8.58
    ethyl lactate 49.31
    propylene carbonate 54.48
    n-methylformamide 134.9
    2-pentanol 59.27
    n-pentane 1.37
    1-propoxy-2-propanol 111.2
    1-methoxy-2-propyl acetate 65.36
    2-(2-methoxypropoxy) propanol 75.74
    mesitylene 11.96
    ε-caprolactone 49.63
    p-cymene 13.99
    epichlorohydrin 140.93
    1,1,1-trichloroethane 14.89
    2-aminoethanol 84.45
    morpholine-4-carbaldehyde 151.6
    sulfolane 227.35
    2,2,4-trimethylpentane 2.49
    2-methyltetrahydrofuran 116.43
    n-hexyl acetate 42.65
    isooctane 3.11
    2-(2-butoxyethoxy)ethanol 85.89
    sec-butyl acetate 36.92
    tert-butyl acetate 67.14
    decalin 2.03
    glycerin 103.33
    diglyme 133.3
    acrylic acid 24.07
    isopropyl myristate 26.89
    n-butyric acid 38.81
    acetyl acetate 19.63
    di(2-ethylhexyl) phthalate 23.44
    ethyl propionate 55.93
    nitromethane 63.29
    1,2-diethoxyethane 33.55
    benzonitrile 21.16
    trioctyl phosphate 26.69
    1-bromopropane 8.82
    gamma-valerolactone 126.6
    n-decanol 35.58
    triethyl phosphate 25.36
    4-methyl-2-pentanol 50.36
    propionitrile 25.06
    vinylene carbonate 32.8
    1,1,2-trichlorotrifluoroethane 88.94
    DMS 26.33
    cumene 12.76
    2-octanol 40.7
    2-hexanone 81.25
    octyl acetate 34.51
    limonene 16.22
    1,2-dimethoxyethane 192.14
    ethyl orthosilicate 23.88
    tributyl phosphate 23.22
    diacetone alcohol 133.57
    N,N-dimethylaniline 53.17
    acrylonitrile 33.7
    aniline 13.32
    1,3-propanediol 90.66
    bromobenzene 3.56
    dibromomethane 4.72
    1,1,2,2-tetrachloroethane 28.95
    2-methyl-cyclohexyl acetate 35.27
    tetrabutyl urea 41.66
    diisobutyl methanol 31.18
    2-phenylethanol 51.9
    styrene 7.75
    dioctyl adipate 32.33
    dimethyl sulfate 116.44
    ethyl butyrate 38.29
    methyl lactate 74.7
    butyl lactate 37.76
    diethyl carbonate 22.1
    propanediol butyl ether 68.96
    triethyl orthoformate 28.07
    p-tert-butyltoluene 16.06
    methyl 4-tert-butylbenzoate 61.27
    morpholine 78.84
    tert-butylamine 56.59
    n-dodecanol 27.74
    dimethoxymethane 277.99
    ethylene carbonate 28.25
    cyrene 87.13
    2-ethoxyethyl acetate 33.4
    2-ethylhexyl acetate 27.43
    1,2,4-trichlorobenzene 11.47
    4-methylpyridine 27.2
    dibutyl ether 23.97
    2,6-dimethyl-4-heptanol 31.18
    DEF 107.28
    dimethyl isosorbide 118.22
    tetrachloroethylene 17.35
    eugenol 71.8
    triacetin 34.67
    span 80 57.82
    1,4-butanediol 65.95
    1,1-dichloroethane 11.98
    2-methyl-1-pentanol 57.83
    methyl formate 87.65
    2-methyl-1-butanol 53.72
    n-decane 3.54
    butyronitrile 32.58
    3,7-dimethyl-1-octanol 37.08
    1-chlorooctane 16.76
    1-chlorotetradecane 8.2
    n-nonane 2.99
    undecane 3.01
    tert-butylcyclohexane 3.56
    cyclooctane 0.6
    cyclopentanol 68.31
    tetrahydropyran 31.54
    tert-amyl methyl ether 55.46
    2,5,8-trioxanonane 109.91
    1-hexene 12.05
    2-isopropoxyethanol 104.24
    2,2,2-trifluoroethanol 28.48
    methyl butyrate 63.73

    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