3-Chloroaniline

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  • Identifiers

    CAS number
    108-42-9

    Molecular formula
    C6H6ClN

    SMILES
    C1=CC(=CC(=C1)Cl)N

    Safety labels

    Acute Toxic
    Acute Toxic

    Irritant
    Irritant

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Floral 48.66%
    Animal 43.85%
    Sweet 41.3%
    Phenolic 36.84%
    Woody 32.56%
    Musty 26.84%
    Burnt 26.04%
    Fruity 25.85%
    Grape 24.89%
    Honey 24.5%

     

    Flavor
    Phenolic 25.86%
    Meaty 23.55%
    Mild 23.32%
    Penetrating 21.68%
    Nitrile 20.31%
    Sulfurous 20.24%
    Very strong 20.06%
    Indole 19.97%
    Toluene 19.7%
    Almond shell 19.7%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.9

    pKa est.
    4.65 (weak acid)

    Molecular weight
    127.57 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Melting point expt.

    • 13.5 °F (NTP, 1992)
    • -10.4 °C
    • -10 °C

    Boiling point

    • 446.9 °F at 760 mmHg (NTP, 1992)
    • 230.5 °C

    Flash point

    • 103.05 ˚C est.
    • 255 °F (NTP, 1992)
    • 255 °F
    • 118 °C c.c.

    Solubility expt.

    • less than 1 mg/mL at 64 °F (NTP, 1992)
    • Soluble in most common organic solvents
    • Miscible in ethanol, ether, and acetone
    • In water, 5,400 mg/L at 20 °C
    • Solubility in water, g/100ml at 20 °C: 0.6

  • Synonyms

    • 3-CHLOROANILINE
    • 108-42-9
    • m-Chloroaniline
    • 3-Chlorobenzenamine
    • Benzenamine, 3-chloro-
    • m-Chloraniline
    • 3-Chlorophenylamine
    • m-Chloroaminobenzene
    • 3-Cloroaniline
    • 3-Chlooranilinen
    • Orange GC Base
    • m-Chlorophenylamine
    • m-Aminochlorobenzene
    • Aniline, m-chloro-
    • Fast Orange GC Base
    • 1-Amino-3-chlorobenzene
    • meta-Aminochlorobenzene
    • 3-Chlooranilinen [Dutch]
    • 3-Cloroaniline [Italian]
    • 3-Chloro-phenylamine
    • Aniline, 3-chloro-
    • NSC 17581
    • CCRIS 3402
    • DTXSID0024761
    • 3-CHLORO-ANILINE
    • 3-chloroanaline
    • HSDB 2046
    • UNII-6GKR52SKIY
    • EINECS 203-581-0
    • Azoic diazo component 2, base
    • AI3-12126
    • Benzeneamine, 3-chloro-
    • CHLOROANILINE, M-
    • NSC-17581
    • 6GKR52SKIY
    • M-CHLOROANILINE [MI]
    • DTXCID004761
    • 3-CHLOROANILINE [HSDB]
    • EC 203-581-0
    • 3-CHLOORANILINEN (DUTCH)
    • 3-CLOROANILINE (ITALIAN)
    • meta-chloroaniline
    • CAS-108-42-9
    • mChloraniline
    • mChloroaniline
    • 3chloroaniline
    • 3Chlooranilinen
    • 3Cloroaniline
    • Aniline, mchloro
    • m-Chloro aniline
    • mChlorophenylamine
    • 3-chloro aniline
    • 3Chlorobenzenamine
    • 3Chlorophenylamine
    • mAminochlorobenzene
    • mChloroaminobenzene
    • 3- Chloroaniline
    • 3-chlorobenzeneamine
    • 1Amino3chlorobenzene
    • 3-chlorophenyl amine
    • metaAminochlorobenzene
    • MFCD00007765
    • Benzenamine, 3chloro
    • amino 3 chlorobenzene
    • (3-chlorophenyl)amine
    • (3-chlorophenyl)-amine
    • 3-Chloroaniline, 99%
    • WLN: ZR CG
    • META-CHLOROPHENYLAMINE
    • SCHEMBL33289
    • BIDD:GT0269
    • CHEMBL325415
    • 3-AMINO-1-CHLOROBENZENE
    • 3-CHLORO-1-AMINOBENZENE
    • CHEBI:229245
    • BCP27382
    • NSC17581
    • STR00034
    • Tox21_202237
    • Tox21_303199
    • 3-Chloroaniline(3-Chlorobenzenamine)
    • CK1168
    • STL168886
    • AKOS000119145
    • PS-5280
    • NCGC00091547-01
    • NCGC00091547-02
    • NCGC00256958-01
    • NCGC00259786-01
    • AI312126
    • BP-21058
    • 3-Chloroaniline 100 microg/mL in Methanol
    • DB-059756
    • NS00001502
    • 3-Chloroaniline, puriss., >=99.0% (GC)
    • EN300-18057
    • AG-617/02198029
    • 3-Chloroaniline, PESTANAL(R), analytical standard
    • Q2497496

  • Applications

    3-Chloroaniline (CAS 108-42-9) is primarily used as an industrial chemical intermediate in the production of dyes and pigments, where it can be diazotized and coupled to form azo dyes; it also serves as a building block for pharmaceutical and agrochemical intermediates, and is employed in the synthesis of specialty polymers and coatings that utilize chlorinated aniline derivatives; additional applications include use as a precursor for inks and colorant formulations, and as a reactive starting material in organic synthesis in research settings. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1024.73
    methanol 1169.0
    isopropanol 549.36
    water 12.55
    ethyl acetate 451.99
    n-propanol 610.23
    acetone 1440.09
    n-butanol 478.43
    acetonitrile 596.08
    DMF 596.59
    toluene 66.98
    isobutanol 316.79
    1,4-dioxane 849.93
    methyl acetate 452.49
    THF 1476.2
    2-butanone 646.81
    n-pentanol 307.32
    sec-butanol 334.2
    n-hexane 17.42
    ethylene glycol 146.01
    NMP 394.74
    cyclohexane 14.47
    DMSO 861.31
    n-butyl acetate 312.83
    n-octanol 104.74
    chloroform 185.78
    n-propyl acetate 248.12
    acetic acid 729.83
    dichloromethane 147.87
    cyclohexanone 531.87
    propylene glycol 154.05
    isopropyl acetate 230.68
    DMAc 332.05
    2-ethoxyethanol 467.23
    isopentanol 274.91
    n-heptane 28.63
    ethyl formate 355.53
    1,2-dichloroethane 132.19
    n-hexanol 300.19
    2-methoxyethanol 814.32
    isobutyl acetate 150.42
    tetrachloromethane 38.77
    n-pentyl acetate 151.45
    transcutol 787.91
    n-heptanol 120.54
    ethylbenzene 17.26
    MIBK 205.95
    2-propoxyethanol 530.16
    tert-butanol 418.78
    MTBE 284.4
    2-butoxyethanol 243.71
    propionic acid 354.66
    o-xylene 33.77
    formic acid 361.14
    diethyl ether 528.7
    m-xylene 49.4
    p-xylene 27.55
    chlorobenzene 80.69
    dimethyl carbonate 158.5
    n-octane 8.55
    formamide 524.85
    cyclopentanone 720.09
    2-pentanone 513.18
    anisole 112.15
    cyclopentyl methyl ether 383.85
    gamma-butyrolactone 704.56
    1-methoxy-2-propanol 446.69
    pyridine 281.8
    3-pentanone 270.21
    furfural 415.61
    n-dodecane 7.19
    diethylene glycol 376.13
    diisopropyl ether 92.19
    tert-amyl alcohol 240.78
    acetylacetone 437.52
    n-hexadecane 7.91
    acetophenone 96.54
    methyl propionate 298.18
    isopentyl acetate 211.16
    trichloroethylene 215.19
    n-nonanol 90.48
    cyclohexanol 219.76
    benzyl alcohol 101.16
    2-ethylhexanol 119.75
    isooctanol 84.9
    dipropyl ether 219.3
    1,2-dichlorobenzene 55.7
    ethyl lactate 95.53
    propylene carbonate 322.15
    n-methylformamide 487.57
    2-pentanol 250.61
    n-pentane 24.68
    1-propoxy-2-propanol 331.85
    1-methoxy-2-propyl acetate 258.94
    2-(2-methoxypropoxy) propanol 171.05
    mesitylene 30.45
    ε-caprolactone 360.57
    p-cymene 31.18
    epichlorohydrin 541.81
    1,1,1-trichloroethane 153.66
    2-aminoethanol 275.42
    morpholine-4-carbaldehyde 468.03
    sulfolane 491.95
    2,2,4-trimethylpentane 11.59
    2-methyltetrahydrofuran 644.92
    n-hexyl acetate 164.56
    isooctane 12.03
    2-(2-butoxyethoxy)ethanol 261.98
    sec-butyl acetate 130.94
    tert-butyl acetate 217.31
    decalin 7.97
    glycerin 191.57
    diglyme 433.0
    acrylic acid 268.73
    isopropyl myristate 63.12
    n-butyric acid 481.18
    acetyl acetate 259.65
    di(2-ethylhexyl) phthalate 62.76
    ethyl propionate 157.94
    nitromethane 1025.2
    1,2-diethoxyethane 330.49
    benzonitrile 122.31
    trioctyl phosphate 51.43
    1-bromopropane 102.12
    gamma-valerolactone 793.92
    n-decanol 66.76
    triethyl phosphate 66.43
    4-methyl-2-pentanol 109.52
    propionitrile 288.26
    vinylene carbonate 252.0
    1,1,2-trichlorotrifluoroethane 264.02
    DMS 122.98
    cumene 17.45
    2-octanol 76.45
    2-hexanone 280.39
    octyl acetate 88.7
    limonene 57.43
    1,2-dimethoxyethane 567.75
    ethyl orthosilicate 69.87
    tributyl phosphate 63.18
    diacetone alcohol 253.56
    N,N-dimethylaniline 64.5
    acrylonitrile 244.63
    aniline 137.45
    1,3-propanediol 417.14
    bromobenzene 55.67
    dibromomethane 97.8
    1,1,2,2-tetrachloroethane 156.37
    2-methyl-cyclohexyl acetate 103.71
    tetrabutyl urea 76.6
    diisobutyl methanol 67.58
    2-phenylethanol 128.66
    styrene 24.46
    dioctyl adipate 87.43
    dimethyl sulfate 180.7
    ethyl butyrate 178.45
    methyl lactate 146.26
    butyl lactate 113.77
    diethyl carbonate 104.3
    propanediol butyl ether 181.42
    triethyl orthoformate 127.68
    p-tert-butyltoluene 35.03
    methyl 4-tert-butylbenzoate 113.32
    morpholine 837.34
    tert-butylamine 200.1
    n-dodecanol 50.81
    dimethoxymethane 572.21
    ethylene carbonate 254.46
    cyrene 145.89
    2-ethoxyethyl acetate 217.85
    2-ethylhexyl acetate 157.18
    1,2,4-trichlorobenzene 72.06
    4-methylpyridine 231.57
    dibutyl ether 122.58
    2,6-dimethyl-4-heptanol 67.58
    DEF 290.71
    dimethyl isosorbide 285.99
    tetrachloroethylene 106.46
    eugenol 121.9
    triacetin 148.36
    span 80 150.54
    1,4-butanediol 166.16
    1,1-dichloroethane 169.71
    2-methyl-1-pentanol 175.47
    methyl formate 408.71
    2-methyl-1-butanol 245.69
    n-decane 11.98
    butyronitrile 355.6
    3,7-dimethyl-1-octanol 90.58
    1-chlorooctane 46.83
    1-chlorotetradecane 19.71
    n-nonane 11.67
    undecane 8.85
    tert-butylcyclohexane 10.5
    cyclooctane 6.29
    cyclopentanol 307.85
    tetrahydropyran 710.91
    tert-amyl methyl ether 168.15
    2,5,8-trioxanonane 311.81
    1-hexene 67.05
    2-isopropoxyethanol 252.94
    2,2,2-trifluoroethanol 222.58
    methyl butyrate 213.58

    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