2-Amino-4-(4-chlorophenyl)thiazole

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  • Identifiers

    CAS number
    2103-99-3

    Molecular formula
    C9H7ClN2S

    SMILES
    C1=CC(=CC=C1C2=CSC(=N2)N)Cl

    Safety labels

    Acute Toxic
    Acute Toxic

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Meaty 54.13%
    Sulfurous 49.33%
    Roasted 43.78%
    Burnt 40.48%
    Fatty 33.77%
    Animal 32.0%
    Nutty 31.43%
    Floral 31.23%
    Cooked 30.53%
    Savory 28.86%

     

    Flavor
    Bitter 49.16%
    Roasted 33.82%
    Coffee 29.73%
    Meaty 29.16%
    Nutty 26.37%
    Mild 26.2%
    Sulfury 23.66%
    Scallion 23.49%
    Cooked 23.1%
    Very strong 23.04%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.2

    pKa est.
    5.47 (weak acid)

    Molecular weight
    210.68 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    367°C

    Flash point

    • 180.87 ˚C est.

  • Synonyms

    • 2-Amino-4-(4-chlorophenyl)thiazole
    • RefChem:483719
    • 626-038-3
    • 2103-99-3
    • 4-(4-chlorophenyl)thiazol-2-amine
    • 4-(4-chlorophenyl)-1,3-thiazol-2-amine
    • 2-Thiazolamine, 4-(4-chlorophenyl)-
    • MFCD00047058
    • 4-(4-Chlorophenyl)-2-thiazolamine
    • WFJ6DX9BPJ
    • MLS003171302
    • NSC372682
    • NSC-372682
    • F1912-0041
    • 4-(4-chlorophenyl)-1,3-thiazole-2-ylamine
    • 4-(4-Chloro-phenyl)-thiazol-2-ylamine
    • F 1654
    • NSC 372682
    • UNII-WFJ6DX9BPJ
    • Maybridge1_003566
    • p-Chloro phenyl-4 amino-2 thiazole [French]
    • SCHEMBL430121
    • orb1819073
    • CHEMBL1650273
    • SCHEMBL12468174
    • DTXSID70175234
    • HMS5171C20
    • 2-amino4-(4-chlorophenyl)thiazole
    • 4-(4-chlorphenyl)-2-thiazolamine
    • SMSSF-0044111
    • 2-amino-4-(4-chlorophenyl)thiazol
    • 4-parachlorophenyl 2-amino thiazole
    • ALBB-000391
    • BB_SC-08485
    • p-Chloro phenyl-4 amino-2 thiazole
    • EBC-65170
    • SBB000503
    • STK299378
    • STL277119
    • 4-(4-chloro phenyl)thiazol-2-amine
    • AKOS000266771
    • AKOS016398043
    • 5K-591S
    • AB02022
    • CCG-103634
    • FA36275
    • HY-W052190
    • Thiazol-2-amine, 4-(4-chlorophenyl)-
    • Thiazole, 2-amino-4-(p-chlorophenyl)-
    • PD210542
    • SMR001347325
    • ST079156
    • SY033873
    • 2-amino-4-(4-chlorophenyl)-1,3-thiazole
    • 2-Amino-4-(4-chlorophenyl)thiazole, 98%
    • 4-(p-chlorophenyl)-1,3-thiazol-2-ylamine
    • DB-045458
    • A2841
    • CS-0044969
    • EU-0000915
    • EN300-02225
    • F-1654
    • 4-(4-Chloro-phenyl)-3H-thiazol-2-ylideneamine
    • 4-(4-Chlorophenyl)-1,3-thiazol-2(3H)-imine
    • 103A993
    • 4-(4-Chlorophenyl)-1,3-thiazol-2(3H)-imine #
    • A815088
    • F210746
    • SR-01000395187
    • SR-01000395187-1
    • BRD-K64970676-001-03-9
    • Z48847650
    • F0820-0047
    • 4-(4-chlorophenyl)thiazol-2-amine;2-Amino-4-(4-chlorophenyl)thiazole
    • InChI=1/C9H7ClN2S/c10-7-3-1-6(2-4-7)8-5-13-9(11)12-8/h1-5H,(H2,11,12
    • 2103-99-3

  • Applications

    2-Amino-4-(4-chlorophenyl)thiazole (CAS 2103-99-3) is primarily used as an organic building block and synthetic intermediate in medicinal chemistry, enabling the preparation of thiazole-containing scaffolds for drug discovery. It is commonly evaluated as an intermediate in the synthesis of pharmaceutical candidates and related thiazole derivatives, and may also serve as a scaffold for potential agrochemical analogs. In industrial manufacturing and chemical research, it provides a versatile precursor for structure–activity relationship exploration and library generation of thiazole derivatives. Additionally, it may be used in materials-oriented research as a scaffold for functionalized derivatives in polymer or coating-related studies.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 18.09
    methanol 24.11
    isopropanol 15.74
    water 0.3
    ethyl acetate 24.57
    n-propanol 18.72
    acetone 101.44
    n-butanol 16.95
    acetonitrile 15.47
    DMF 400.15
    toluene 5.56
    isobutanol 13.85
    1,4-dioxane 59.6
    methyl acetate 32.59
    THF 191.86
    2-butanone 70.49
    n-pentanol 21.98
    sec-butanol 13.79
    n-hexane 0.05
    ethylene glycol 16.14
    NMP 124.87
    cyclohexane 0.09
    DMSO 148.67
    n-butyl acetate 28.11
    n-octanol 12.84
    chloroform 11.13
    n-propyl acetate 30.14
    acetic acid 30.35
    dichloromethane 10.39
    cyclohexanone 60.4
    propylene glycol 26.51
    isopropyl acetate 18.77
    DMAc 287.39
    2-ethoxyethanol 75.06
    isopentanol 18.02
    n-heptane 0.55
    ethyl formate 30.19
    1,2-dichloroethane 8.34
    n-hexanol 20.66
    2-methoxyethanol 105.39
    isobutyl acetate 22.69
    tetrachloromethane 1.11
    n-pentyl acetate 25.88
    transcutol 93.46
    n-heptanol 18.92
    ethylbenzene 3.59
    MIBK 27.4
    2-propoxyethanol 74.84
    tert-butanol 21.97
    MTBE 11.36
    2-butoxyethanol 51.98
    propionic acid 19.04
    o-xylene 4.49
    formic acid 19.94
    diethyl ether 5.71
    m-xylene 5.45
    p-xylene 6.17
    chlorobenzene 10.63
    dimethyl carbonate 36.45
    n-octane 0.31
    formamide 43.43
    cyclopentanone 128.2
    2-pentanone 41.41
    anisole 29.93
    cyclopentyl methyl ether 25.09
    gamma-butyrolactone 108.32
    1-methoxy-2-propanol 84.89
    pyridine 49.85
    3-pentanone 22.62
    furfural 108.33
    n-dodecane 0.55
    diethylene glycol 70.25
    diisopropyl ether 2.69
    tert-amyl alcohol 17.81
    acetylacetone 63.68
    n-hexadecane 0.63
    acetophenone 41.45
    methyl propionate 34.09
    isopentyl acetate 26.5
    trichloroethylene 31.53
    n-nonanol 14.27
    cyclohexanol 12.23
    benzyl alcohol 41.16
    2-ethylhexanol 14.76
    isooctanol 17.44
    dipropyl ether 13.18
    1,2-dichlorobenzene 10.73
    ethyl lactate 27.9
    propylene carbonate 52.87
    n-methylformamide 76.55
    2-pentanol 10.28
    n-pentane 0.05
    1-propoxy-2-propanol 52.81
    1-methoxy-2-propyl acetate 46.98
    2-(2-methoxypropoxy) propanol 50.27
    mesitylene 3.51
    ε-caprolactone 52.8
    p-cymene 6.72
    epichlorohydrin 96.26
    1,1,1-trichloroethane 7.09
    2-aminoethanol 24.79
    morpholine-4-carbaldehyde 140.91
    sulfolane 105.34
    2,2,4-trimethylpentane 0.23
    2-methyltetrahydrofuran 43.11
    n-hexyl acetate 23.43
    isooctane 0.27
    2-(2-butoxyethoxy)ethanol 59.7
    sec-butyl acetate 18.93
    tert-butyl acetate 22.74
    decalin 0.3
    glycerin 53.21
    diglyme 100.07
    acrylic acid 23.59
    isopropyl myristate 14.58
    n-butyric acid 28.05
    acetyl acetate 18.78
    di(2-ethylhexyl) phthalate 21.09
    ethyl propionate 23.07
    nitromethane 84.04
    1,2-diethoxyethane 35.94
    benzonitrile 32.59
    trioctyl phosphate 14.92
    1-bromopropane 2.55
    gamma-valerolactone 160.39
    n-decanol 12.33
    triethyl phosphate 15.89
    4-methyl-2-pentanol 10.47
    propionitrile 15.22
    vinylene carbonate 49.1
    1,1,2-trichlorotrifluoroethane 82.94
    DMS 23.24
    cumene 3.81
    2-octanol 12.99
    2-hexanone 38.73
    octyl acetate 19.23
    limonene 8.13
    1,2-dimethoxyethane 110.87
    ethyl orthosilicate 14.5
    tributyl phosphate 14.61
    diacetone alcohol 47.37
    N,N-dimethylaniline 22.73
    acrylonitrile 27.79
    aniline 20.2
    1,3-propanediol 36.45
    bromobenzene 7.59
    dibromomethane 3.89
    1,1,2,2-tetrachloroethane 23.2
    2-methyl-cyclohexyl acetate 25.5
    tetrabutyl urea 27.54
    diisobutyl methanol 10.19
    2-phenylethanol 35.17
    styrene 4.98
    dioctyl adipate 23.8
    dimethyl sulfate 54.81
    ethyl butyrate 25.5
    methyl lactate 43.46
    butyl lactate 31.37
    diethyl carbonate 17.99
    propanediol butyl ether 43.88
    triethyl orthoformate 22.02
    p-tert-butyltoluene 6.48
    methyl 4-tert-butylbenzoate 39.58
    morpholine 73.49
    tert-butylamine 6.96
    n-dodecanol 9.89
    dimethoxymethane 131.78
    ethylene carbonate 34.8
    cyrene 69.11
    2-ethoxyethyl acetate 41.4
    2-ethylhexyl acetate 20.12
    1,2,4-trichlorobenzene 17.72
    4-methylpyridine 45.3
    dibutyl ether 10.67
    2,6-dimethyl-4-heptanol 10.19
    DEF 50.84
    dimethyl isosorbide 82.32
    tetrachloroethylene 10.56
    eugenol 52.52
    triacetin 34.41
    span 80 39.92
    1,4-butanediol 24.57
    1,1-dichloroethane 6.74
    2-methyl-1-pentanol 21.1
    methyl formate 69.12
    2-methyl-1-butanol 15.47
    n-decane 0.65
    butyronitrile 17.69
    3,7-dimethyl-1-octanol 13.93
    1-chlorooctane 3.92
    1-chlorotetradecane 2.43
    n-nonane 0.45
    undecane 0.6
    tert-butylcyclohexane 0.41
    cyclooctane 0.08
    cyclopentanol 23.37
    tetrahydropyran 24.06
    tert-amyl methyl ether 10.91
    2,5,8-trioxanonane 83.23
    1-hexene 0.61
    2-isopropoxyethanol 51.3
    2,2,2-trifluoroethanol 16.97
    methyl butyrate 33.49

    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