Nicarbazin

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  • Identifiers

    CAS number
    330-95-0

    Molecular formula
    C19H18N6O6

    SMILES
    CC1=CC(=NC(=O)N1)C.C1=CC(=CC=C1NC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Nutty 42.32%
    Roasted 38.87%
    Burnt 35.63%
    Musty 32.86%
    Odorless 28.58%
    Cocoa 28.23%
    Green 27.91%
    Animal 27.81%
    Meaty 27.55%
    Earthy 25.36%

     

    Flavor
    Nutty 37.07%
    Cocoa 35.05%
    Bitter 34.3%
    Musty 28.96%
    Roasted 26.15%
    Coffee 23.85%
    Soybean 22.27%
    Bread crust 22.15%
    Mold 22.09%
    Chocolate 22.05%

     

    Odor impact est.
    Medium

  • Properties

    pKa est.
    7.5 (neutral)

    Molecular weight
    426.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    311°C

    Melting point expt.

    • decomposes 265-275 °C

    Flash point

    • 143.81 ˚C est.

    Solubility expt.

    • Practically insoluble in water. Complex is slowly decomposed by trituration with water, or more rapidly by dilute aqueous acids.
    • Slightly soluble in dimethylsulfoxide (DMSO) and dimethylformamide (DMF); insoluble in water and ethanol, however it decomposes slowly when mixed with them

  • Synonyms

    • Nicarbazin
    • 330-95-0
    • Nicarbazine
    • Nirazin
    • Nicoxin
    • Nicrazin
    • Nicrazine
    • Nicarb
    • Nicarbasin
    • MK 75
    • 11P9NUA12U
    • NSC-7171
    • Nicarmix 25
    • Nicarb 25%
    • RefChem:57682
    • Carbigran 25, Nicarbazin
    • 206-359-1
    • AI3-60130
    • DTXSID6034762
    • 1,3-bis(4-nitrophenyl)urea;4,6-dimethyl-1H-pyrimidin-2-one
    • 1,3-Bis(4-nitrophenyl)urea 4,6-dimethylpyrimidin-2-ol (1:1)
    • Nicarbazin [BAN]
    • n,n'-bis(4-nitrophenyl)urea compound with 4,6-dimethyl-2-pyrimidinone
    • N,N inverted exclamation marka-Bis(4-nitrophenyl)urea compd. with 4,6-dimethyl-2-pyrimidinol (1:1)
    • MK 75 (VAN)
    • HSDB 7466
    • NSC 7171
    • EINECS 206-359-1
    • UNII-11P9NUA12U
    • Nicarbazin; 1,3-Bis(4-nitrophenyl)urea 4,6-dimethylpyrimidin-2-ol; Nicarbazine
    • C19H18N6O6
    • MFCD00867204
    • 4,4'-Dinitrocarbanilide, 4,6-dimethyl-2-pyrimidinol
    • Nicarbazin (Standard)
    • NICARBAZIN [MI]
    • 1,3-bis(4-nitrophenyl)urea,4,6-dimethyl-1H-pyrimidin-2-one
    • NICARBAZIN [HSDB]
    • NICARBAZIN [MART.]
    • CHEMBL95855
    • SCHEMBL578675
    • SCHEMBL578676
    • orb1304522
    • orb3025277
    • NICARBAZIN [GREEN BOOK]
    • 1,3-Bis(4-nitrophenyl)urea-4,6-dimethylpyrimidin-2-ol
    • DTXCID4014762
    • CHEBI:81725
    • 4, 4,6-dimethyl-2-pyrimidinol
    • MSK7109
    • NSC7171
    • UKHWDRMMMYWSFL-UHFFFAOYSA-N
    • HMS5083N16
    • MSK7109-100AF
    • Tox21_304000
    • MFCD09033149
    • s4866
    • AKOS015900412
    • AKOS025310650
    • MSK7109-1000F
    • CCG-268958
    • HY-107814R
    • Urea, N,N-bis(4-nitrophenyl)-, compound with 4,6-dimethyl-2(1H)-pyrimidinone (1:1)
    • NCGC00357219-01
    • Nicarbazin Solution in DMF, 1000ug/mL
    • AS-13365
    • CAS-330-95-0
    • FN158224
    • SY038632
    • HY-107814
    • CS-0030690
    • NS00079489
    • C18389
    • D95916
    • Nicarbazin, VETRANAL(TM), analytical standard
    • 330N950
    • Nicarbazin Solution in Acetonitrile/DMF, 100ug/mL
    • Q2020694
    • 1,3-bis(4-nitrophenyl)urea; 4,6-dimethylpyrimidin-2-ol
    • 1,3-Bis-(4-nitro-phenyl)-urea and 4,6-Dimethyl-pyrimidin-2-ol
    • N,N'-Bis(4-nitrophenyl)urea--4,6-dimethylpyrimidin-2(1H)-one (1/1)
    • 1,3-Bis(4-nitrophenyl)urea compd. with 4,6-dimethylpyrimidin-2(1H)-one(1:1)
    • 330-95-0

  • Applications

    Nicarbazin (CAS 330-95-0), an equimolar complex of 4,4'-dinitrocarbanilide and nicotinic acid hydrazide, is primarily used as a veterinary feed additive to prevent and control coccidiosis in poultry; in practice it is incorporated into commercial poultry feeds as an anticoccidial agent for broilers, breeders, and layers to support disease management and production performance, within the dosage limits and regulatory frameworks of different regions.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 28.23
    methanol 31.88
    isopropanol 18.9
    water 7.49
    ethyl acetate 19.43
    n-propanol 23.6
    acetone 22.88
    n-butanol 19.86
    acetonitrile 15.3
    DMF 51.75
    toluene 3.23
    isobutanol 16.54
    1,4-dioxane 20.59
    methyl acetate 19.48
    THF 69.89
    2-butanone 19.25
    n-pentanol 14.78
    sec-butanol 17.65
    n-hexane 0.97
    ethylene glycol 19.24
    NMP 78.68
    cyclohexane 0.34
    DMSO 80.31
    n-butyl acetate 12.43
    n-octanol 9.02
    chloroform 8.72
    n-propyl acetate 9.56
    acetic acid 70.0
    dichloromethane 10.09
    cyclohexanone 25.46
    propylene glycol 24.14
    isopropyl acetate 10.65
    DMAc 47.27
    2-ethoxyethanol 27.64
    isopentanol 16.1
    n-heptane 0.76
    ethyl formate 16.3
    1,2-dichloroethane 6.77
    n-hexanol 14.59
    2-methoxyethanol 59.6
    isobutyl acetate 6.98
    tetrachloromethane 1.41
    n-pentyl acetate 10.69
    transcutol 60.65
    n-heptanol 7.88
    ethylbenzene 1.48
    MIBK 11.15
    2-propoxyethanol 40.29
    tert-butanol 21.22
    MTBE 8.07
    2-butoxyethanol 19.78
    propionic acid 31.52
    o-xylene 2.79
    formic acid 44.53
    diethyl ether 9.27
    m-xylene 3.72
    p-xylene 2.03
    chlorobenzene 4.36
    dimethyl carbonate 11.72
    n-octane 0.35
    formamide 38.38
    cyclopentanone 44.26
    2-pentanone 18.95
    anisole 6.36
    cyclopentyl methyl ether 20.77
    gamma-butyrolactone 69.62
    1-methoxy-2-propanol 46.79
    pyridine 12.39
    3-pentanone 11.61
    furfural 45.64
    n-dodecane 0.42
    diethylene glycol 41.11
    diisopropyl ether 2.68
    tert-amyl alcohol 17.96
    acetylacetone 21.93
    n-hexadecane 0.47
    acetophenone 8.63
    methyl propionate 20.71
    isopentyl acetate 11.86
    trichloroethylene 13.94
    n-nonanol 8.27
    cyclohexanol 13.72
    benzyl alcohol 9.5
    2-ethylhexanol 8.29
    isooctanol 6.85
    dipropyl ether 6.56
    1,2-dichlorobenzene 4.69
    ethyl lactate 11.95
    propylene carbonate 33.03
    n-methylformamide 32.38
    2-pentanol 12.43
    n-pentane 0.77
    1-propoxy-2-propanol 25.26
    1-methoxy-2-propyl acetate 19.0
    2-(2-methoxypropoxy) propanol 28.1
    mesitylene 2.19
    ε-caprolactone 30.01
    p-cymene 2.74
    epichlorohydrin 45.93
    1,1,1-trichloroethane 5.98
    2-aminoethanol 28.06
    morpholine-4-carbaldehyde 53.6
    sulfolane 86.85
    2,2,4-trimethylpentane 0.65
    2-methyltetrahydrofuran 35.39
    n-hexyl acetate 16.46
    isooctane 0.5
    2-(2-butoxyethoxy)ethanol 33.94
    sec-butyl acetate 6.76
    tert-butyl acetate 11.89
    decalin 0.55
    glycerin 38.93
    diglyme 36.8
    acrylic acid 33.11
    isopropyl myristate 6.87
    n-butyric acid 33.02
    acetyl acetate 12.96
    di(2-ethylhexyl) phthalate 11.54
    ethyl propionate 10.51
    nitromethane 75.88
    1,2-diethoxyethane 11.69
    benzonitrile 8.99
    trioctyl phosphate 8.23
    1-bromopropane 4.74
    gamma-valerolactone 60.96
    n-decanol 6.32
    triethyl phosphate 7.97
    4-methyl-2-pentanol 7.95
    propionitrile 10.53
    vinylene carbonate 26.23
    1,1,2-trichlorotrifluoroethane 34.14
    DMS 15.02
    cumene 1.82
    2-octanol 6.07
    2-hexanone 11.19
    octyl acetate 9.53
    limonene 3.53
    1,2-dimethoxyethane 27.67
    ethyl orthosilicate 7.23
    tributyl phosphate 10.05
    diacetone alcohol 24.75
    N,N-dimethylaniline 5.95
    acrylonitrile 14.58
    aniline 9.02
    1,3-propanediol 32.83
    bromobenzene 3.03
    dibromomethane 6.19
    1,1,2,2-tetrachloroethane 10.41
    2-methyl-cyclohexyl acetate 10.32
    tetrabutyl urea 13.08
    diisobutyl methanol 5.1
    2-phenylethanol 11.09
    styrene 1.44
    dioctyl adipate 11.34
    dimethyl sulfate 26.05
    ethyl butyrate 9.27
    methyl lactate 21.35
    butyl lactate 13.46
    diethyl carbonate 7.43
    propanediol butyl ether 26.07
    triethyl orthoformate 8.3
    p-tert-butyltoluene 2.74
    methyl 4-tert-butylbenzoate 17.82
    morpholine 33.18
    tert-butylamine 8.69
    n-dodecanol 4.85
    dimethoxymethane 32.94
    ethylene carbonate 19.25
    cyrene 27.54
    2-ethoxyethyl acetate 16.74
    2-ethylhexyl acetate 9.21
    1,2,4-trichlorobenzene 7.62
    4-methylpyridine 14.75
    dibutyl ether 6.02
    2,6-dimethyl-4-heptanol 5.1
    DEF 20.01
    dimethyl isosorbide 39.19
    tetrachloroethylene 5.69
    eugenol 19.6
    triacetin 17.37
    span 80 22.46
    1,4-butanediol 13.67
    1,1-dichloroethane 6.37
    2-methyl-1-pentanol 13.52
    methyl formate 25.99
    2-methyl-1-butanol 16.94
    n-decane 0.61
    butyronitrile 12.35
    3,7-dimethyl-1-octanol 8.83
    1-chlorooctane 3.05
    1-chlorotetradecane 1.57
    n-nonane 0.55
    undecane 0.5
    tert-butylcyclohexane 0.77
    cyclooctane 0.22
    cyclopentanol 22.79
    tetrahydropyran 15.81
    tert-amyl methyl ether 9.43
    2,5,8-trioxanonane 34.96
    1-hexene 3.09
    2-isopropoxyethanol 17.67
    2,2,2-trifluoroethanol 29.42
    methyl butyrate 12.77

    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