3-Aminobenzenesulfonic acid

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  • Identifiers

    CAS number
    121-47-1

    Molecular formula
    C6H7NO3S

    SMILES
    C1=CC(=CC(=C1)S(=O)(=O)O)N

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 81.06%
    Cooked 23.31%
    Sulfurous 21.47%
    Roasted 19.87%
    Savory 19.81%
    Burnt 19.46%
    Bitter 19.19%
    Meaty 18.29%
    Pungent 13.81%
    Grape 13.13%

     

    Flavor
    Bitter 72.14%
    Odorless 31.31%
    Mild 22.73%
    Nitrile 22.19%
    Urine 20.39%
    Bread crust 19.77%
    Bland 19.58%
    Formyl 19.54%
    Very strong 19.47%
    Taco 19.44%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -0.2

    pKa est.
    7.72 (neutral)

    Molecular weight
    173.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    388°C

    Melting point expt.

    • Decomposes without melting (NTP, 1992)

    Flash point

    • 167.82 ˚C est.

    Solubility expt.

    • less than 1 mg/mL at 72 °F (NTP, 1992)

  • Synonyms

    • Metanilic acid
    • 3-AMINOBENZENESULFONIC ACID
    • 121-47-1
    • m-Aminobenzenesulfonic acid
    • Benzenesulfonic acid, 3-amino-
    • m-Sulfanilic acid
    • m-Anilinesulfonic acid
    • 1-Aminobenzene-3-sulfonic acid
    • Kyselina metanilova
    • Aniline-m-sulfonic acid
    • 3-AMINOBENZENE SULFONIC ACID
    • OT03NUM20P
    • DTXSID6024462
    • NSC-4504
    • DTXCID804462
    • CHEBI:27764
    • RefChem:811221
    • 204-473-6
    • 3-Aminobenzenesulphonic acid
    • 3-Amino-benzenesulfonic acid
    • Aminobenzenesulfonic acid
    • 3-aminobenzene-1-sulfonic acid
    • 3-Sulfoaniline
    • MFCD00065345
    • Kyselina anilin-3-sulfonova
    • NSC 4504
    • aniline-3-sulphonic acid
    • Kyselina metanilova [Czech]
    • CCRIS 2760
    • EINECS 204-473-6
    • Kyselina anilin-3-sulfonova [Czech]
    • UNII-OT03NUM20P
    • BRN 0473264
    • AI3-23215
    • m-sulphanilic acid
    • 3-anilinesulfonic acid
    • 3_aminobenzene_sulfonide
    • WLN: ZR CSWQ
    • m-Aminophenylsulfonic acid
    • EC 204-473-6
    • m-Amino benzenesulfonic acid
    • 3-amino benzenesulfonic acid
    • METANILIC ACID [MI]
    • SCHEMBL29044
    • 4-14-00-02647 (Beilstein Handbook Reference)
    • SCHEMBL156542
    • orb1705365
    • SCHEMBL2152786
    • SCHEMBL2778706
    • SCHEMBL2778991
    • SCHEMBL3291493
    • SCHEMBL6630683
    • SCHEMBL9626850
    • CHEMBL1456811
    • NSC4504
    • 3-Aminobenzenesulfonic acid, 97%
    • AAA12147
    • Tox21_201027
    • AMINOBENZENESULFONIC ACID, M-
    • SBB060550
    • STK661724
    • AKOS000299087
    • CS-W017552
    • EBC-612881
    • NCGC00091239-01
    • NCGC00091239-02
    • NCGC00258580-01
    • AS-15878
    • CAS-121-47-1
    • SY001628
    • 3-Aminobenzenesulfonic acid Metanilic acid
    • DB-041620
    • ST4022370
    • A0265
    • NS00020466
    • EN300-19726
    • C06334
    • E80404
    • AE-562/43459497
    • F217093
    • Q1422618
    • F0001-0345
    • Z104474954
    • 105009-55-0
    • 121-47-1

  • Applications

    3-Aminobenzenesulfonic acid (CAS 121-47-1) is primarily used as an intermediate in the synthesis of azo dyes and other colorants for textiles and printing. It also serves as a building block in the manufacture of pharmaceutical intermediates. In the materials field, it provides a sulfonated aromatic scaffold used in polymer, plastic, and coating formulations, aiding color development and ionic functionality in plastics and rubber. It may also appear in specialty chemical applications related to analytical dye chemistry and derivatization in process chemistry.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 33.3
    methanol 60.88
    isopropanol 18.16
    water 12.47
    ethyl acetate 17.81
    n-propanol 16.51
    acetone 145.31
    n-butanol 12.93
    acetonitrile 30.95
    DMF 428.4
    toluene 2.72
    isobutanol 8.09
    1,4-dioxane 45.24
    methyl acetate 24.02
    THF 213.38
    2-butanone 52.99
    n-pentanol 9.13
    sec-butanol 11.4
    n-hexane 0.16
    ethylene glycol 43.01
    NMP 113.93
    cyclohexane 0.25
    DMSO 346.19
    n-butyl acetate 13.91
    n-octanol 10.9
    chloroform 2.61
    n-propyl acetate 11.05
    acetic acid 16.2
    dichloromethane 3.24
    cyclohexanone 44.98
    propylene glycol 17.94
    isopropyl acetate 11.99
    DMAc 239.38
    2-ethoxyethanol 62.4
    isopentanol 9.25
    n-heptane 0.63
    ethyl formate 28.08
    1,2-dichloroethane 6.45
    n-hexanol 19.56
    2-methoxyethanol 133.23
    isobutyl acetate 3.38
    tetrachloromethane 1.55
    n-pentyl acetate 10.42
    transcutol 23.56
    n-heptanol 14.86
    ethylbenzene 1.96
    MIBK 18.91
    2-propoxyethanol 69.32
    tert-butanol 22.79
    MTBE 7.53
    2-butoxyethanol 37.24
    propionic acid 10.58
    o-xylene 3.31
    formic acid 43.62
    diethyl ether 8.06
    m-xylene 3.42
    p-xylene 2.29
    chlorobenzene 3.15
    dimethyl carbonate 22.47
    n-octane 0.43
    formamide 85.71
    cyclopentanone 134.25
    2-pentanone 42.53
    anisole 11.95
    cyclopentyl methyl ether 18.88
    gamma-butyrolactone 91.59
    1-methoxy-2-propanol 72.54
    pyridine 22.34
    3-pentanone 21.34
    furfural 68.13
    n-dodecane 0.42
    diethylene glycol 82.42
    diisopropyl ether 2.17
    tert-amyl alcohol 15.85
    acetylacetone 69.57
    n-hexadecane 0.48
    acetophenone 18.76
    methyl propionate 23.88
    isopentyl acetate 10.22
    trichloroethylene 9.84
    n-nonanol 9.94
    cyclohexanol 6.95
    benzyl alcohol 13.46
    2-ethylhexanol 8.0
    isooctanol 9.06
    dipropyl ether 7.94
    1,2-dichlorobenzene 3.94
    ethyl lactate 15.76
    propylene carbonate 21.59
    n-methylformamide 112.61
    2-pentanol 6.97
    n-pentane 0.19
    1-propoxy-2-propanol 38.44
    1-methoxy-2-propyl acetate 24.7
    2-(2-methoxypropoxy) propanol 24.96
    mesitylene 2.6
    ε-caprolactone 25.34
    p-cymene 3.47
    epichlorohydrin 62.7
    1,1,1-trichloroethane 3.32
    2-aminoethanol 38.86
    morpholine-4-carbaldehyde 109.88
    sulfolane 101.03
    2,2,4-trimethylpentane 0.16
    2-methyltetrahydrofuran 29.37
    n-hexyl acetate 11.62
    isooctane 0.17
    2-(2-butoxyethoxy)ethanol 30.13
    sec-butyl acetate 5.12
    tert-butyl acetate 14.25
    decalin 0.23
    glycerin 46.95
    diglyme 57.22
    acrylic acid 11.59
    isopropyl myristate 5.63
    n-butyric acid 14.84
    acetyl acetate 11.65
    di(2-ethylhexyl) phthalate 7.31
    ethyl propionate 11.03
    nitromethane 85.8
    1,2-diethoxyethane 10.2
    benzonitrile 13.18
    trioctyl phosphate 7.58
    1-bromopropane 1.8
    gamma-valerolactone 112.23
    n-decanol 7.71
    triethyl phosphate 6.87
    4-methyl-2-pentanol 4.76
    propionitrile 13.34
    vinylene carbonate 17.49
    1,1,2-trichlorotrifluoroethane 43.68
    DMS 9.08
    cumene 1.65
    2-octanol 7.94
    2-hexanone 18.49
    octyl acetate 8.94
    limonene 3.87
    1,2-dimethoxyethane 98.84
    ethyl orthosilicate 5.96
    tributyl phosphate 5.74
    diacetone alcohol 38.14
    N,N-dimethylaniline 10.46
    acrylonitrile 27.08
    aniline 7.43
    1,3-propanediol 43.51
    bromobenzene 2.09
    dibromomethane 1.99
    1,1,2,2-tetrachloroethane 9.81
    2-methyl-cyclohexyl acetate 9.26
    tetrabutyl urea 13.57
    diisobutyl methanol 5.01
    2-phenylethanol 21.76
    styrene 2.03
    dioctyl adipate 7.98
    dimethyl sulfate 51.69
    ethyl butyrate 11.25
    methyl lactate 32.01
    butyl lactate 12.33
    diethyl carbonate 6.88
    propanediol butyl ether 20.65
    triethyl orthoformate 7.63
    p-tert-butyltoluene 3.39
    methyl 4-tert-butylbenzoate 22.13
    morpholine 51.75
    tert-butylamine 6.6
    n-dodecanol 5.61
    dimethoxymethane 141.47
    ethylene carbonate 14.83
    cyrene 30.29
    2-ethoxyethyl acetate 13.62
    2-ethylhexyl acetate 7.03
    1,2,4-trichlorobenzene 4.87
    4-methylpyridine 20.39
    dibutyl ether 3.82
    2,6-dimethyl-4-heptanol 5.01
    DEF 49.64
    dimethyl isosorbide 41.89
    tetrachloroethylene 8.28
    eugenol 26.67
    triacetin 10.56
    span 80 17.16
    1,4-butanediol 20.92
    1,1-dichloroethane 3.1
    2-methyl-1-pentanol 6.2
    methyl formate 97.09
    2-methyl-1-butanol 7.74
    n-decane 0.63
    butyronitrile 14.4
    3,7-dimethyl-1-octanol 7.04
    1-chlorooctane 2.84
    1-chlorotetradecane 1.31
    n-nonane 0.53
    undecane 0.51
    tert-butylcyclohexane 0.21
    cyclooctane 0.18
    cyclopentanol 17.09
    tetrahydropyran 14.08
    tert-amyl methyl ether 7.13
    2,5,8-trioxanonane 46.88
    1-hexene 0.85
    2-isopropoxyethanol 26.79
    2,2,2-trifluoroethanol 16.71
    methyl butyrate 17.58

    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