2-Chloroaniline

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  • Identifiers

    CAS number
    95-51-2

    Molecular formula
    C6H6ClN

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

    Safety labels

    Acute Toxic
    Acute Toxic

    Irritant
    Irritant

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Phenolic 38.15%
    Animal 37.17%
    Sweet 35.01%
    Burnt 33.74%
    Meaty 31.46%
    Smoky 30.26%
    Fishy 28.33%
    Musty 26.63%
    Cheesy 26.21%
    Floral 24.99%

     

    Flavor
    Meaty 37.74%
    Sulfurous 35.18%
    Onion 26.62%
    Garlic 26.55%
    Mild 26.39%
    Phenolic 26.15%
    Egg 26.08%
    Fishy 26.04%
    Roasted 23.83%
    Sulfury 22.87%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.9

    pKa est.
    4.09 (weak acid)

    Molecular weight
    127.57 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Melting point expt.

    • 28.5 °F (NTP, 1992)
    • -14 °C
    • -2 °C

    Boiling point

    • 406 to 410 °F at 760 mmHg (NTP, 1992)
    • 208.8 °C
    • 209 °C

    Flash point

    • 93.77 ˚C est.
    • 208 °F (NTP, 1992)
    • 103 °C
    • 103 °C (closed cup)
    • 108 °C

    Solubility expt.

    • less than 1 mg/mL at 68 °F (NTP, 1992)
    • Soluble in acid and in most organic solvents.
    • Miscible in alcohol and ether
    • Soluble in alcohol, ether, benzene, and acetone.
    • In water, 8165 mg/L at 25 °C
    • Solubility in water, g/100ml at 20 °C: 0.5

  • Synonyms

    • 2-CHLOROANILINE
    • 95-51-2
    • o-Chloroaniline
    • 2-Chlorobenzenamine
    • Benzenamine, 2-chloro-
    • 2-Chlorophenylamine
    • 1-Amino-2-chlorobenzene
    • o-Aminochlorobenzene
    • o-Chloroaminobenzene
    • Aniline, o-chloro-
    • Fast Yellow GC Base
    • o-Chloraniline
    • NSC 6183
    • CCRIS 2880
    • 2-CHLORO-ANILINE
    • HSDB 2045
    • EINECS 202-426-4
    • MFCD00007656
    • UNII-G14I494T2F
    • Aniline, 2-chloro-
    • Azoic diazo component 44, base
    • DTXSID2021810
    • AI3-16321
    • G14I494T2F
    • NSC-6183
    • 2-Amino-1-chlorobenzene
    • 2-CHLOROANILINE-
    • Benzeneamine, 2-chloro-
    • CHLOROANILINE, O-
    • O-CHLOROANILINE [MI]
    • DTXCID001810
    • 2-CHLOROANILINE [HSDB]
    • EC 202-426-4
    • Benzenamine, chloro-
    • oChloraniline
    • oChloroaniline
    • 2chloroaniline
    • 6-chloroaniline
    • o-chloro-aniline
    • Aniline, ochloro
    • 2Chlorobenzenamine
    • 2Chlorophenylamine
    • Codeine TMS
    • 2-Chlorbenzolamin
    • oAminochlorobenzene
    • oChloroaminobenzene
    • 2-Chloro aniline
    • 2-Chloraminobenzol
    • 2-Chlorbenzenamine
    • 2-Aminochlorobenzol
    • 2-chloroaminobenzene
    • 2-chlorobenzeneamine
    • 1Amino2chlorobenzene
    • 2-Chloro-phenylamine
    • Benzenamine, 2chloro
    • 27134-26-5
    • (2-chlorophenyl)amine
    • 1,2-aminochlorobenzene
    • 1-Amino-2-chlorbenzol
    • 2-Chlor-1-aminobenzol
    • (2-chlorophenyl)-amine
    • WLN: ZR BG
    • SCHEMBL25495
    • MLS002454424
    • BIDD:GT0224
    • CHEMBL389885
    • NSC6183
    • HMS3039D15
    • STR00033
    • Tox21_200802
    • STL168885
    • 2-Chloroaniline, >=99.5% (GC)
    • AKOS000119118
    • CAS-95-51-2
    • NCGC00091121-01
    • NCGC00091121-02
    • NCGC00258356-01
    • SMR001372017
    • DB-020908
    • DS-009850
    • NS00010859
    • 2-Chloroaniline, technical, >=98.0% (GC)
    • EN300-17987
    • 2-Chloroaniline 100 microg/mL in Acetonitrile
    • A15103
    • 2-Chloroaniline, PESTANAL(R), analytical standard
    • Q2294431
    • F2190-0428
    • 202-426-4

  • Applications

    2-Chloroaniline (CAS 95-51-2) is an industrial intermediate used as a building block for a range of organic compounds. In the dye and pigment sector, it serves as a precursor for azo dyes and pigments. It is also converted into intermediates for pharmaceutical and agrochemical synthesis and plays a role in rubber chemistry as an intermediate or precursor for accelerator formulations. Additionally, it can be used as a building block for specialty polymers and plastics, and as an intermediate in coatings and industrial inks. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 145.65
    methanol 219.45
    isopropanol 83.47
    water 3.06
    ethyl acetate 132.69
    n-propanol 112.03
    acetone 200.64
    n-butanol 101.05
    acetonitrile 108.17
    DMF 249.48
    toluene 25.29
    isobutanol 58.31
    1,4-dioxane 258.6
    methyl acetate 136.51
    THF 442.3
    2-butanone 151.13
    n-pentanol 83.63
    sec-butanol 64.97
    n-hexane 2.95
    ethylene glycol 22.01
    NMP 207.71
    cyclohexane 3.12
    DMSO 249.37
    n-butyl acetate 140.51
    n-octanol 29.92
    chloroform 133.08
    n-propyl acetate 92.67
    acetic acid 185.97
    dichloromethane 95.07
    cyclohexanone 176.15
    propylene glycol 23.3
    isopropyl acetate 74.77
    DMAc 207.16
    2-ethoxyethanol 135.41
    isopentanol 71.1
    n-heptane 7.97
    ethyl formate 125.08
    1,2-dichloroethane 67.71
    n-hexanol 82.48
    2-methoxyethanol 199.82
    isobutyl acetate 55.2
    tetrachloromethane 25.49
    n-pentyl acetate 77.26
    transcutol 425.27
    n-heptanol 46.23
    ethylbenzene 8.86
    MIBK 70.25
    2-propoxyethanol 159.53
    tert-butanol 96.32
    MTBE 87.81
    2-butoxyethanol 105.66
    propionic acid 99.89
    o-xylene 16.5
    formic acid 107.05
    diethyl ether 109.67
    m-xylene 18.24
    p-xylene 13.89
    chlorobenzene 43.51
    dimethyl carbonate 50.97
    n-octane 2.81
    formamide 195.03
    cyclopentanone 286.89
    2-pentanone 130.09
    anisole 52.17
    cyclopentyl methyl ether 108.67
    gamma-butyrolactone 287.59
    1-methoxy-2-propanol 116.6
    pyridine 132.15
    3-pentanone 77.98
    furfural 238.58
    n-dodecane 2.02
    diethylene glycol 102.74
    diisopropyl ether 25.42
    tert-amyl alcohol 69.95
    acetylacetone 133.82
    n-hexadecane 2.26
    acetophenone 52.63
    methyl propionate 88.52
    isopentyl acetate 100.32
    trichloroethylene 164.71
    n-nonanol 29.11
    cyclohexanol 48.19
    benzyl alcohol 44.67
    2-ethylhexanol 43.59
    isooctanol 35.54
    dipropyl ether 71.63
    1,2-dichlorobenzene 37.72
    ethyl lactate 37.61
    propylene carbonate 136.28
    n-methylformamide 175.05
    2-pentanol 55.71
    n-pentane 3.94
    1-propoxy-2-propanol 118.91
    1-methoxy-2-propyl acetate 120.63
    2-(2-methoxypropoxy) propanol 80.45
    mesitylene 12.18
    ε-caprolactone 153.41
    p-cymene 16.8
    epichlorohydrin 233.87
    1,1,1-trichloroethane 74.57
    2-aminoethanol 54.89
    morpholine-4-carbaldehyde 219.12
    sulfolane 236.63
    2,2,4-trimethylpentane 3.46
    2-methyltetrahydrofuran 196.64
    n-hexyl acetate 70.44
    isooctane 3.43
    2-(2-butoxyethoxy)ethanol 128.02
    sec-butyl acetate 52.19
    tert-butyl acetate 86.38
    decalin 2.41
    glycerin 46.38
    diglyme 249.13
    acrylic acid 83.09
    isopropyl myristate 28.63
    n-butyric acid 155.48
    acetyl acetate 83.35
    di(2-ethylhexyl) phthalate 28.22
    ethyl propionate 55.89
    nitromethane 365.59
    1,2-diethoxyethane 164.32
    benzonitrile 58.04
    trioctyl phosphate 23.21
    1-bromopropane 37.38
    gamma-valerolactone 346.34
    n-decanol 21.59
    triethyl phosphate 37.33
    4-methyl-2-pentanol 33.17
    propionitrile 74.67
    vinylene carbonate 126.37
    1,1,2-trichlorotrifluoroethane 144.16
    DMS 55.62
    cumene 9.62
    2-octanol 28.05
    2-hexanone 96.93
    octyl acetate 36.95
    limonene 25.15
    1,2-dimethoxyethane 232.4
    ethyl orthosilicate 39.91
    tributyl phosphate 30.66
    diacetone alcohol 96.32
    N,N-dimethylaniline 35.2
    acrylonitrile 87.88
    aniline 49.18
    1,3-propanediol 96.87
    bromobenzene 32.09
    dibromomethane 54.43
    1,1,2,2-tetrachloroethane 114.38
    2-methyl-cyclohexyl acetate 55.37
    tetrabutyl urea 37.15
    diisobutyl methanol 31.47
    2-phenylethanol 55.89
    styrene 12.3
    dioctyl adipate 41.82
    dimethyl sulfate 77.14
    ethyl butyrate 89.09
    methyl lactate 48.36
    butyl lactate 56.64
    diethyl carbonate 50.92
    propanediol butyl ether 69.48
    triethyl orthoformate 65.94
    p-tert-butyltoluene 17.44
    methyl 4-tert-butylbenzoate 57.2
    morpholine 252.86
    tert-butylamine 45.93
    n-dodecanol 16.33
    dimethoxymethane 168.22
    ethylene carbonate 106.78
    cyrene 73.9
    2-ethoxyethyl acetate 113.67
    2-ethylhexyl acetate 75.9
    1,2,4-trichlorobenzene 49.07
    4-methylpyridine 113.4
    dibutyl ether 46.09
    2,6-dimethyl-4-heptanol 31.47
    DEF 123.45
    dimethyl isosorbide 149.92
    tetrachloroethylene 86.97
    eugenol 65.31
    triacetin 76.97
    span 80 66.38
    1,4-butanediol 38.05
    1,1-dichloroethane 71.34
    2-methyl-1-pentanol 60.62
    methyl formate 125.34
    2-methyl-1-butanol 61.25
    n-decane 3.44
    butyronitrile 90.19
    3,7-dimethyl-1-octanol 31.31
    1-chlorooctane 15.58
    1-chlorotetradecane 6.42
    n-nonane 3.08
    undecane 2.52
    tert-butylcyclohexane 3.6
    cyclooctane 1.49
    cyclopentanol 73.14
    tetrahydropyran 169.94
    tert-amyl methyl ether 55.34
    2,5,8-trioxanonane 162.84
    1-hexene 14.95
    2-isopropoxyethanol 84.05
    2,2,2-trifluoroethanol 77.96
    methyl butyrate 85.6

    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