Diclazuril

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  • Identifiers

    CAS number
    101831-37-2

    Molecular formula
    C17H9Cl3N4O2

    SMILES
    C1=CC(=CC=C1C(C#N)C2=C(C=C(C=C2Cl)N3C(=O)NC(=O)C=N3)Cl)Cl

    Safety labels

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Odorless 50.41%
    Bitter 27.41%
    Grape 23.09%
    Fruity 22.88%
    Animal 22.28%
    Burnt 19.75%
    Floral 19.19%
    Neroli 19.09%
    Cooked 18.93%
    Dry 17.55%

     

    Flavor
    Bitter 91.41%
    Odorless 35.43%
    Nitrile 19.62%
    Bland 19.56%
    Sweet-like 18.19%
    Very strong 18.12%
    Indole 17.66%
    Cedarleaf 17.5%
    Rotten 17.17%
    Bread crust 17.13%

     

    Odor impact est.
    Odorless

  • Properties

    XLogP3-AA
    4.1

    pKa est.
    6.11 (neutral)

    Molecular weight
    407.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    727°C

    Flash point

    • 284.22 ˚C est.

  • Synonyms

    • DICLAZURIL
    • 101831-37-2
    • Clinacox
    • Vecoxan
    • Nuoqiu
    • Diclazurilo
    • Diclazurilum
    • Diclazuril for veterinary use
    • NSC-759642
    • K110K1B1VE
    • R64,433
    • DTXSID4046787
    • Benzeneacetonitrile, 2,6-dichloro-alpha-(4-chlorophenyl)-4-(4,5-dihydro-3,5-dioxo-1,2,4-triazin-2(3H)-yl)-
    • P-64433
    • DTXCID2026787
    • R-64-433
    • 2,6-dichloro-alpha-(4-chlorophenyl)-4-(4,5-dihydro-3,5-dioxo-1,2,4-triazin-2(3H)-yl)benzeneacetonitrile
    • Protazil
    • 2,6-Dichloro-alpha-(4-chlorophenyl)-4-[4,5-dihydro-3,5-dioxo-1,2,4-triazin-2(3H)-yl]benzeneacetonitrile
    • Clinacox 0.2%
    • RefChem:55000
    • 2-(4-chlorophenyl)-2-(2,6-dichloro-4-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-2-yl)phenyl)acetonitrile
    • 4-chlorophenyl (2,6-dichloro-4-(4,5-dihydro-3H-3,5-dioxo-1,2,4-triazin-2-yl)pheny l) acetonitrile
    • R-64433
    • 2-(4-chlorophenyl)-2-[2,6-dichloro-4-(3,5-dioxo-1,2,4-triazin-2-yl)phenyl]acetonitrile
    • MFCD00867203
    • 2-(4-chlorophenyl)-2-(2,6-dichloro-4-(3,5-dioxo-4,5-dihydro-1,2,4-triazin-2(3H)-yl)phenyl)acetonitrile
    • NCGC00168785-01
    • (p-Chlorophenyl)(2,6-dichloro-4-(4,5-dihydro-3,5-dioxo-as-triazin-2(3H)-yl)phenyl)acetonitrile
    • (4-chlorophenyl)[2,6-dichloro-4-(3,5-dioxo-4,5-dihydro-1,2,4-triazin-2(3H)-yl)phenyl]acetonitrile
    • C17H9Cl3N4O2
    • DCZL
    • Diclazurilum [Latin]
    • Diclazurilo [Spanish]
    • SR-05000001484
    • UNII-K110K1B1VE
    • Diclazuril CRS
    • Diclazuril [USAN:USP:INN:BAN]
    • 2-(4-Chlorophenyl)-2-[2,6-dichloro-4-(3,5-dioxo-4,5-dihydro-1,2,4-triazin-2(3H)-yl)phenyl]acetonitrile
    • DRG-0079
    • Diclazuril (Standard)
    • DICLAZURIL [MI]
    • Diclazuril (USP/INN)
    • DICLAZURIL [INN]
    • DICLAZURIL [USAN]
    • DICLAZURIL [MART.]
    • DICLAZURIL [USP-RS]
    • SCHEMBL126138
    • CHEMBL284733
    • orb1309527
    • DICLAZURIL [GREEN BOOK]
    • SCHEMBL27803573
    • CHEBI:95118
    • Diclazuril for system suitability
    • HY-B0357R
    • MSK7105
    • DICLAZURIL [USP MONOGRAPH]
    • GLXC-10872
    • HMS2089N18
    • HMS3655D11
    • HMS3715D21
    • HMS5080D17
    • Pharmakon1600-01502348
    • MSK7105-100AF
    • HY-B0357
    • MSK7105-1000AF
    • Tox21_112645
    • BDBM50088493
    • NSC759642
    • s2028
    • STL135982
    • Diclazuril for system suitability CRS
    • AKOS005746928
    • CCG-213044
    • DB11398
    • EBC-656268
    • KS-5064
    • NSC 759642
    • SB18820
    • 2-[4-(4-chloro-alpha-cyanobenzyl)-3,5-dichlorophenyl]-1,2,4-triazine-3,5(2H,4H)-dione
    • NCGC00168785-02
    • NCGC00168785-03
    • NCGC00168785-09
    • AC-12108
    • AC-32608
    • SY067418
    • CAS-101831-37-2
    • D5457
    • NS00000688
    • SW199606-2
    • D03794
    • Diclazuril, VETRANAL(TM), analytical standard
    • T70016
    • AB01562968_01
    • AB01562968_02
    • 831D372
    • DICLAZURIL FOR VETERINARY USE [EP MONOGRAPH]
    • Diclazuril Solution in Acetonitrile/DMF, 1000ug/mL
    • Diclazuril Solution in Acetonitrile/DMF, 100ug/mL
    • Q5273856
    • SR-05000001484-1
    • SR-05000001484-2
    • BRD-A06426627-001-03-5
    • BRD-A06426627-001-04-3
    • Diclazuril, United States Pharmacopeia (USP) Reference Standard
    • Diclazuril for system suitability, European Pharmacopoeia (EP) Reference Standard
    • (RS)-(4-Chlorophenyl)[2,6-dichloro-4-(3,5-dioxo-4,5-dihydro-1,2,4-triazin-2(3H)-yl)phenyl]acetonitrile
    • 2,6-Dichloro-.alpha.-(4-chlorophenyl)-4-(4,5-dihydro-3,5-dioxo-1,2,4-triazin-2(3H)-yl)benzeneacetonitrile
    • 2,6-Dichloro-|_-(4-chlorophenyl)-4-(4,5-dihydro-3,5-dioxo-1,2,4-triazin-2(3H)-yl)benzeneacetonitrile
    • 2,6-dichloro-alpha-(4-chlorophenyl)-4-(4,5-dihydro-3,5-dioxo-1,2,4-triazin-2(3H)-yl)-benzeneacetonitrile
    • BENZENEACETONITRILE, 2,6-DICHLORO-.ALPHA.-(4-CHLOROPHENYL)-4-(4,5-DIHYDRO-3,5-DIOXO-1,2,4-TRIAZIN-2(3H)-YL)-
    • Benzeneacetonitrile, 2,6-dichloro-|A-(4-chlorophenyl)-4-(4,5-dihydro-3,5-dioxo-1,2,4-triazin-2(3H)-yl)-
    • 101831-37-2

  • Applications

    Diclazuril is a veterinary anticoccidial drug used primarily in the poultry industry as a medicated feed additive to prevent and control coccidiosis caused by Eimeria species; it is formulated in veterinary pharmaceutical products and medicated feeds for chickens and turkeys and is also evaluated for use in other livestock in certain markets, as well as for research applications in parasitology within livestock production, subject to local regulatory requirements.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 13.23
    methanol 19.32
    isopropanol 5.18
    water 0.03
    ethyl acetate 20.65
    n-propanol 8.42
    acetone 57.35
    n-butanol 3.84
    acetonitrile 45.55
    DMF 158.28
    toluene 1.53
    isobutanol 3.72
    1,4-dioxane 18.2
    methyl acetate 34.1
    THF 65.62
    2-butanone 45.78
    n-pentanol 5.31
    sec-butanol 4.21
    n-hexane 0.03
    ethylene glycol 12.48
    NMP 82.92
    cyclohexane 0.03
    DMSO 92.45
    n-butyl acetate 12.26
    n-octanol 2.23
    chloroform 11.04
    n-propyl acetate 23.02
    acetic acid 31.44
    dichloromethane 16.41
    cyclohexanone 30.02
    propylene glycol 12.29
    isopropyl acetate 9.0
    DMAc 180.49
    2-ethoxyethanol 38.42
    isopentanol 2.53
    n-heptane 0.07
    ethyl formate 24.78
    1,2-dichloroethane 10.43
    n-hexanol 2.73
    2-methoxyethanol 58.77
    isobutyl acetate 8.8
    tetrachloromethane 0.41
    n-pentyl acetate 11.37
    transcutol 61.81
    n-heptanol 2.73
    ethylbenzene 0.96
    MIBK 6.77
    2-propoxyethanol 31.12
    tert-butanol 2.75
    MTBE 1.66
    2-butoxyethanol 19.19
    propionic acid 15.92
    o-xylene 0.74
    formic acid 29.38
    diethyl ether 3.35
    m-xylene 0.74
    p-xylene 1.59
    chlorobenzene 3.62
    dimethyl carbonate 23.75
    n-octane 0.04
    formamide 59.52
    cyclopentanone 65.81
    2-pentanone 20.61
    anisole 9.25
    cyclopentyl methyl ether 6.35
    gamma-butyrolactone 71.17
    1-methoxy-2-propanol 32.84
    pyridine 34.09
    3-pentanone 14.23
    furfural 70.29
    n-dodecane 0.08
    diethylene glycol 32.38
    diisopropyl ether 0.42
    tert-amyl alcohol 2.43
    acetylacetone 42.38
    n-hexadecane 0.09
    acetophenone 16.49
    methyl propionate 27.58
    isopentyl acetate 8.15
    trichloroethylene 30.54
    n-nonanol 2.58
    cyclohexanol 2.02
    benzyl alcohol 11.15
    2-ethylhexanol 2.05
    isooctanol 2.21
    dipropyl ether 4.42
    1,2-dichlorobenzene 3.37
    ethyl lactate 17.62
    propylene carbonate 28.11
    n-methylformamide 77.86
    2-pentanol 1.65
    n-pentane 0.03
    1-propoxy-2-propanol 18.67
    1-methoxy-2-propyl acetate 23.33
    2-(2-methoxypropoxy) propanol 21.21
    mesitylene 0.34
    ε-caprolactone 29.85
    p-cymene 1.05
    epichlorohydrin 65.25
    1,1,1-trichloroethane 4.2
    2-aminoethanol 15.23
    morpholine-4-carbaldehyde 85.17
    sulfolane 67.96
    2,2,4-trimethylpentane 0.02
    2-methyltetrahydrofuran 12.63
    n-hexyl acetate 8.82
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 27.04
    sec-butyl acetate 8.51
    tert-butyl acetate 6.71
    decalin 0.03
    glycerin 21.81
    diglyme 51.24
    acrylic acid 21.5
    isopropyl myristate 3.92
    n-butyric acid 13.44
    acetyl acetate 13.69
    di(2-ethylhexyl) phthalate 7.0
    ethyl propionate 17.3
    nitromethane 123.74
    1,2-diethoxyethane 16.51
    benzonitrile 15.53
    trioctyl phosphate 4.18
    1-bromopropane 2.95
    gamma-valerolactone 107.09
    n-decanol 2.14
    triethyl phosphate 6.21
    4-methyl-2-pentanol 0.87
    propionitrile 19.83
    vinylene carbonate 30.78
    1,1,2-trichlorotrifluoroethane 64.61
    DMS 15.33
    cumene 0.61
    2-octanol 1.54
    2-hexanone 21.11
    octyl acetate 6.06
    limonene 1.03
    1,2-dimethoxyethane 56.76
    ethyl orthosilicate 4.71
    tributyl phosphate 5.39
    diacetone alcohol 14.69
    N,N-dimethylaniline 5.5
    acrylonitrile 44.6
    aniline 6.03
    1,3-propanediol 13.41
    bromobenzene 2.7
    dibromomethane 6.24
    1,1,2,2-tetrachloroethane 18.07
    2-methyl-cyclohexyl acetate 8.05
    tetrabutyl urea 11.11
    diisobutyl methanol 1.03
    2-phenylethanol 9.08
    styrene 1.61
    dioctyl adipate 9.62
    dimethyl sulfate 34.34
    ethyl butyrate 12.25
    methyl lactate 31.42
    butyl lactate 15.6
    diethyl carbonate 8.78
    propanediol butyl ether 17.32
    triethyl orthoformate 8.67
    p-tert-butyltoluene 0.88
    methyl 4-tert-butylbenzoate 14.05
    morpholine 31.11
    tert-butylamine 0.8
    n-dodecanol 1.6
    dimethoxymethane 59.8
    ethylene carbonate 21.14
    cyrene 29.4
    2-ethoxyethyl acetate 26.25
    2-ethylhexyl acetate 6.06
    1,2,4-trichlorobenzene 6.07
    4-methylpyridine 20.79
    dibutyl ether 3.43
    2,6-dimethyl-4-heptanol 1.03
    DEF 29.08
    dimethyl isosorbide 37.03
    tetrachloroethylene 8.0
    eugenol 20.37
    triacetin 19.65
    span 80 13.82
    1,4-butanediol 8.8
    1,1-dichloroethane 6.93
    2-methyl-1-pentanol 3.31
    methyl formate 65.45
    2-methyl-1-butanol 2.66
    n-decane 0.1
    butyronitrile 12.28
    3,7-dimethyl-1-octanol 2.09
    1-chlorooctane 0.81
    1-chlorotetradecane 0.44
    n-nonane 0.07
    undecane 0.09
    tert-butylcyclohexane 0.03
    cyclooctane 0.01
    cyclopentanol 5.79
    tetrahydropyran 7.7
    tert-amyl methyl ether 1.8
    2,5,8-trioxanonane 37.5
    1-hexene 0.48
    2-isopropoxyethanol 18.98
    2,2,2-trifluoroethanol 13.39
    methyl butyrate 25.26

    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