Chloramben

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  • Identifiers

    CAS number
    133-90-4

    Molecular formula
    C7H5Cl2NO2

    SMILES
    C1=C(C=C(C(=C1C(=O)O)Cl)N)Cl

    Safety labels

    Irritant
    Irritant

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Odorless 57.98%
    Grape 24.58%
    Phenolic 23.58%
    Animal 23.18%
    Bitter 22.45%
    Dry 21.32%
    Musk 20.22%
    Fruity 20.18%
    Powdery 19.9%
    Burnt 19.48%

     

    Flavor
    Odorless 55.09%
    Bitter 49.38%
    Mild 42.47%
    Bland 22.87%
    Phenolic 22.73%
    Very mild 21.64%
    Nitrile 21.2%
    Yeast 21.12%
    Nutty 20.88%
    Orange flower 20.84%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.0

    pKa est.
    5.62 (weak acid)

    Molecular weight
    206.02 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    389°C

    Melting point expt.

    • 381 to 387 °F (NTP, 1992)
    • 200-201 °C
    • MP: ABOVE 195 °C /TECHNICAL PRODUCT/

    Flash point

    • 174.13 ˚C est.

    Solubility expt.

    • less than 0.1 mg/mL at 72 °F (NTP, 1992)
    • water solubility = 700 mg/l @ 25 °C
    • SOLUBILITY IN ETHANOL: 172 G/L @ 25 °C
    • SOL IN ALKALI
    • SOLUBILITY IN ACETONE: 23.27 G/100 G @ 29 °C
    • For more Solubility (Complete) data for AMIBEN (9 total), please visit the HSDB record page.

  • Synonyms

    • Chloramben
    • 3-Amino-2,5-dichlorobenzoic acid
    • 133-90-4
    • Ambiben
    • Benzoic acid, 3-amino-2,5-dichloro-
    • AMIBEN
    • Amiben DS
    • Amibin
    • Amoben
    • Vegiben
    • Ornamental weeder
    • 2,5-Dichloro-3-aminobenzoic acid
    • Ornamental weeder 4G
    • Caswell No. 168A
    • CCRIS 125
    • Chloramben [ANSI:BSI:ISO]
    • HSDB 564
    • Vegaben
    • ACP-M-728
    • NCI-C00055
    • UNII-EWG424FFB5
    • EINECS 205-123-5
    • ACPM-629
    • EPA Pesticide Chemical Code 029901
    • BRN 2365906
    • DTXSID2020262
    • CHLORAMBEN [MI]
    • CHLORAMBEN [ISO]
    • CHLORAMBEN [HSDB]
    • Kyselina 3-amino-2,5-dichlorbenzoova
    • EWG424FFB5
    • DTXCID00262
    • MLS002152892
    • CHEBI:82183
    • SMR001224504
    • Chloramben (ANSI:BSI:ISO)
    • Chlorambed
    • CAS-133-90-4
    • Chlorambene
    • Kyselina 3-amino-2,5-dichlorbenzoova [Czech]
    • 3-amino-2,5-dichloro-benzoic acid
    • MFCD00065093
    • Chloramben (Standard)
    • Chloramben:3-amino-2,5-dichlorobenzoic acid
    • cid_8630
    • SCHEMBL55091
    • ACPM629
    • ACPM728
    • 2,5Dichloro3aminobenzoic acid
    • 3Amino2,5dichlorobenzoic acid
    • CHEMBL446021
    • BDBM74246
    • Benzoic acid, 3amino2,5dichloro
    • Kyselina 3amino2,5dichlorbenzoova
    • HMS3039A11
    • Tox21_201368
    • Tox21_300588
    • Benzoic acid, 3-amino-2,5-dichloro
    • AKOS009159116
    • FA70665
    • HY-119417R
    • NCGC00090839-01
    • NCGC00090839-02
    • NCGC00090839-03
    • NCGC00090839-04
    • NCGC00254377-01
    • NCGC00258920-01
    • 3-Amino-2,5-dichlorobenzoic acid, 95%
    • 3-azanyl-2,5-bis(chloranyl)benzoic acid
    • AC-19983
    • DB-042206
    • HY-119417
    • A1537
    • CS-0068135
    • NS00009318
    • Chloramben, PESTANAL(R), analytical standard
    • C19056
    • D88446
    • EN300-103930
    • Q5102912
    • 205-123-5

  • Applications

    Chloramben (CAS 133-90-4) can be used as an intermediate in the synthesis of agrochemical products and pharmaceuticals; it serves as an aromatic building block for precursors of herbicidal and pharmaceutical compounds. It is also a precursor for the production of dyes and pigments; used as a precursor in polymer and coating formulations; and employed in research and development as an analytical reference material or a test reagent. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 19.44
    methanol 16.83
    isopropanol 17.17
    water 2.47
    ethyl acetate 18.12
    n-propanol 15.69
    acetone 52.99
    n-butanol 15.61
    acetonitrile 8.25
    DMF 346.83
    toluene 3.95
    isobutanol 12.92
    1,4-dioxane 28.49
    methyl acetate 18.22
    THF 273.82
    2-butanone 38.74
    n-pentanol 17.79
    sec-butanol 16.88
    n-hexane 0.51
    ethylene glycol 24.67
    NMP 114.25
    cyclohexane 0.14
    DMSO 204.08
    n-butyl acetate 23.69
    n-octanol 17.17
    chloroform 8.82
    n-propyl acetate 18.25
    acetic acid 11.27
    dichloromethane 10.18
    cyclohexanone 35.08
    propylene glycol 11.8
    isopropyl acetate 18.51
    DMAc 250.24
    2-ethoxyethanol 54.17
    isopentanol 17.16
    n-heptane 1.35
    ethyl formate 17.46
    1,2-dichloroethane 12.4
    n-hexanol 28.21
    2-methoxyethanol 85.55
    isobutyl acetate 11.4
    tetrachloromethane 4.91
    n-pentyl acetate 19.35
    transcutol 27.71
    n-heptanol 21.84
    ethylbenzene 5.44
    MIBK 31.5
    2-propoxyethanol 81.15
    tert-butanol 36.48
    MTBE 20.47
    2-butoxyethanol 43.67
    propionic acid 8.51
    o-xylene 5.89
    formic acid 20.06
    diethyl ether 10.71
    m-xylene 7.17
    p-xylene 6.3
    chlorobenzene 5.2
    dimethyl carbonate 31.76
    n-octane 0.88
    formamide 35.43
    cyclopentanone 101.57
    2-pentanone 39.9
    anisole 27.11
    cyclopentyl methyl ether 41.33
    gamma-butyrolactone 72.64
    1-methoxy-2-propanol 69.52
    pyridine 17.36
    3-pentanone 24.36
    furfural 58.37
    n-dodecane 0.94
    diethylene glycol 76.7
    diisopropyl ether 5.8
    tert-amyl alcohol 30.0
    acetylacetone 59.37
    n-hexadecane 1.07
    acetophenone 27.49
    methyl propionate 27.88
    isopentyl acetate 22.17
    trichloroethylene 22.71
    n-nonanol 16.83
    cyclohexanol 9.32
    benzyl alcohol 20.38
    2-ethylhexanol 17.67
    isooctanol 17.23
    dipropyl ether 18.27
    1,2-dichlorobenzene 8.25
    ethyl lactate 18.58
    propylene carbonate 26.94
    n-methylformamide 60.45
    2-pentanol 13.27
    n-pentane 0.3
    1-propoxy-2-propanol 52.32
    1-methoxy-2-propyl acetate 36.87
    2-(2-methoxypropoxy) propanol 33.48
    mesitylene 5.51
    ε-caprolactone 26.77
    p-cymene 8.76
    epichlorohydrin 83.35
    1,1,1-trichloroethane 12.14
    2-aminoethanol 24.68
    morpholine-4-carbaldehyde 92.11
    sulfolane 116.38
    2,2,4-trimethylpentane 0.66
    2-methyltetrahydrofuran 52.34
    n-hexyl acetate 21.16
    isooctane 0.67
    2-(2-butoxyethoxy)ethanol 36.75
    sec-butyl acetate 13.36
    tert-butyl acetate 30.49
    decalin 0.69
    glycerin 30.5
    diglyme 64.28
    acrylic acid 8.66
    isopropyl myristate 12.21
    n-butyric acid 14.66
    acetyl acetate 12.6
    di(2-ethylhexyl) phthalate 13.18
    ethyl propionate 20.41
    nitromethane 40.66
    1,2-diethoxyethane 16.24
    benzonitrile 14.51
    trioctyl phosphate 14.01
    1-bromopropane 5.8
    gamma-valerolactone 82.44
    n-decanol 13.47
    triethyl phosphate 15.55
    4-methyl-2-pentanol 11.89
    propionitrile 9.87
    vinylene carbonate 19.45
    1,1,2-trichlorotrifluoroethane 54.35
    DMS 14.83
    cumene 5.57
    2-octanol 15.13
    2-hexanone 31.89
    octyl acetate 16.04
    limonene 9.7
    1,2-dimethoxyethane 91.52
    ethyl orthosilicate 14.37
    tributyl phosphate 11.47
    diacetone alcohol 53.5
    N,N-dimethylaniline 26.9
    acrylonitrile 15.91
    aniline 9.8
    1,3-propanediol 32.15
    bromobenzene 4.57
    dibromomethane 5.79
    1,1,2,2-tetrachloroethane 22.03
    2-methyl-cyclohexyl acetate 18.64
    tetrabutyl urea 23.18
    diisobutyl methanol 12.49
    2-phenylethanol 29.31
    styrene 4.96
    dioctyl adipate 14.71
    dimethyl sulfate 80.85
    ethyl butyrate 21.34
    methyl lactate 31.5
    butyl lactate 17.47
    diethyl carbonate 13.78
    propanediol butyl ether 24.71
    triethyl orthoformate 16.24
    p-tert-butyltoluene 9.69
    methyl 4-tert-butylbenzoate 34.89
    morpholine 42.33
    tert-butylamine 14.59
    n-dodecanol 10.41
    dimethoxymethane 149.39
    ethylene carbonate 15.69
    cyrene 43.85
    2-ethoxyethyl acetate 19.94
    2-ethylhexyl acetate 16.98
    1,2,4-trichlorobenzene 10.32
    4-methylpyridine 24.09
    dibutyl ether 9.89
    2,6-dimethyl-4-heptanol 12.49
    DEF 56.6
    dimethyl isosorbide 67.96
    tetrachloroethylene 14.95
    eugenol 39.48
    triacetin 15.29
    span 80 22.65
    1,4-butanediol 19.96
    1,1-dichloroethane 8.1
    2-methyl-1-pentanol 16.45
    methyl formate 49.95
    2-methyl-1-butanol 15.56
    n-decane 1.33
    butyronitrile 13.35
    3,7-dimethyl-1-octanol 15.1
    1-chlorooctane 7.0
    1-chlorotetradecane 3.45
    n-nonane 1.1
    undecane 1.11
    tert-butylcyclohexane 1.1
    cyclooctane 0.2
    cyclopentanol 22.36
    tetrahydropyran 14.69
    tert-amyl methyl ether 21.51
    2,5,8-trioxanonane 52.23
    1-hexene 3.02
    2-isopropoxyethanol 37.31
    2,2,2-trifluoroethanol 15.36
    methyl butyrate 26.96

    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