Nitrofural;NFZ

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  • Identifiers

    CAS number
    1217220-85-3

    Molecular formula
    C6H6N4O4

    SMILES
    C1=C(OC(=C1)[N+](=O)[O-])C=NNC(=O)N

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 64.0%
    Savory 33.29%
    Meaty 31.58%
    Cooked 28.07%
    Roasted 25.89%
    Popcorn 18.72%
    Burnt 18.51%
    Pungent 16.65%
    Nutty 16.61%
    Bitter 15.82%

     

    Flavor
    Bitter 57.0%
    Odorless 50.35%
    Nutty 26.89%
    Very mild 25.05%
    Mild 24.98%
    Cooked 24.27%
    Bland 23.98%
    Roasted 23.02%
    Bread crust 20.8%
    Roasted peanuts 20.7%

     

    Odor impact est.
    Odorless

  • Properties

    XLogP3-AA
    0.2

    pKa est.
    7.45 (neutral)

    Molecular weight
    198.14 g/mol

    Flash point

    • 158.17 ˚C est.

  • Synonyms

    • Nitrofural;NFZ
    • Spectrum_001005
    • Prestwick0_000492
    • Prestwick1_000492
    • Spectrum2_000657
    • Spectrum3_000518
    • Spectrum4_000076
    • 5-Nitrofurfurolsemicarbazon
    • KBioGR_000631
    • KBioSS_001485
    • DivK1c_000778
    • SPBio_000693
    • SPBio_002304
    • CHEMBL1603968
    • KBio1_000778
    • KBio2_001485
    • KBio2_004053
    • KBio2_006621
    • KBio3_001575
    • IAIWVQXQOWNYOU-UHFFFAOYSA-N
    • NINDS_000778
    • HMS2234O16
    • HMS3374P09
    • HMS3655A15
    • 1217220-85-3
    • SYB22085
    • Nitrofurazone-(1)(3)C,(1)?N2
    • AKOS017263235
    • NCGC00090686-10
    • Q27104529

  • Applications

    Nitrofural (NFZ; CAS 1217220-85-3) is used primarily as a topical antimicrobial/antiseptic in veterinary medicine for wound care and topical applications; it also serves as a chemical intermediate in the synthesis of nitrofuran antibiotics and related pharmaceutical compounds; in research and development, it is employed as a laboratory reagent and as a reference material for analytical methods; it may be used as a precursor in the production of nitrofuran derivatives and for development studies of new nitrofuran-related materials, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.49
    methanol 1.32
    isopropanol 0.32
    water 0.28
    ethyl acetate 0.32
    n-propanol 0.36
    acetone 1.46
    n-butanol 0.28
    acetonitrile 0.76
    DMF 67.0
    toluene 0.1
    isobutanol 0.24
    1,4-dioxane 0.84
    methyl acetate 1.1
    THF 2.22
    2-butanone 1.77
    n-pentanol 0.25
    sec-butanol 0.34
    n-hexane 0.01
    ethylene glycol 1.76
    NMP 84.61
    cyclohexane 0.01
    DMSO 131.38
    n-butyl acetate 0.84
    n-octanol 0.21
    chloroform 0.05
    n-propyl acetate 0.61
    acetic acid 1.82
    dichloromethane 0.13
    cyclohexanone 2.03
    propylene glycol 2.03
    isopropyl acetate 0.27
    DMAc 92.44
    2-ethoxyethanol 4.5
    isopentanol 0.3
    n-heptane 0.02
    ethyl formate 0.95
    1,2-dichloroethane 0.15
    n-hexanol 0.2
    2-methoxyethanol 9.24
    isobutyl acetate 0.29
    tetrachloromethane 0.01
    n-pentyl acetate 0.41
    transcutol 13.07
    n-heptanol 0.19
    ethylbenzene 0.07
    MIBK 0.51
    2-propoxyethanol 4.3
    tert-butanol 0.45
    MTBE 0.32
    2-butoxyethanol 2.04
    propionic acid 1.29
    o-xylene 0.15
    formic acid 5.67
    diethyl ether 0.16
    m-xylene 0.09
    p-xylene 0.14
    chlorobenzene 0.07
    dimethyl carbonate 1.69
    n-octane 0.01
    formamide 12.28
    cyclopentanone 3.81
    2-pentanone 0.66
    anisole 0.71
    cyclopentyl methyl ether 0.48
    gamma-butyrolactone 6.19
    1-methoxy-2-propanol 5.68
    pyridine 1.57
    3-pentanone 0.67
    furfural 9.57
    n-dodecane 0.01
    diethylene glycol 6.92
    diisopropyl ether 0.05
    tert-amyl alcohol 0.56
    acetylacetone 1.43
    n-hexadecane 0.01
    acetophenone 1.63
    methyl propionate 1.03
    isopentyl acetate 0.8
    trichloroethylene 0.28
    n-nonanol 0.23
    cyclohexanol 0.24
    benzyl alcohol 0.88
    2-ethylhexanol 0.19
    isooctanol 0.17
    dipropyl ether 0.36
    1,2-dichlorobenzene 0.11
    ethyl lactate 2.38
    propylene carbonate 2.29
    n-methylformamide 11.24
    2-pentanol 0.15
    n-pentane 0.01
    1-propoxy-2-propanol 3.12
    1-methoxy-2-propyl acetate 2.3
    2-(2-methoxypropoxy) propanol 6.64
    mesitylene 0.08
    ε-caprolactone 2.27
    p-cymene 0.14
    epichlorohydrin 2.51
    1,1,1-trichloroethane 0.04
    2-aminoethanol 1.97
    morpholine-4-carbaldehyde 30.3
    sulfolane 31.3
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 0.72
    n-hexyl acetate 0.57
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 4.95
    sec-butyl acetate 0.32
    tert-butyl acetate 0.51
    decalin 0.01
    glycerin 7.16
    diglyme 10.38
    acrylic acid 2.58
    isopropyl myristate 0.3
    n-butyric acid 0.76
    acetyl acetate 0.3
    di(2-ethylhexyl) phthalate 1.0
    ethyl propionate 0.63
    nitromethane 7.5
    1,2-diethoxyethane 0.99
    benzonitrile 0.72
    trioctyl phosphate 0.49
    1-bromopropane 0.06
    gamma-valerolactone 12.48
    n-decanol 0.18
    triethyl phosphate 1.12
    4-methyl-2-pentanol 0.13
    propionitrile 0.53
    vinylene carbonate 2.22
    1,1,2-trichlorotrifluoroethane 6.52
    DMS 1.44
    cumene 0.07
    2-octanol 0.13
    2-hexanone 0.85
    octyl acetate 0.45
    limonene 0.19
    1,2-dimethoxyethane 8.53
    ethyl orthosilicate 0.83
    tributyl phosphate 0.72
    diacetone alcohol 2.37
    N,N-dimethylaniline 0.96
    acrylonitrile 1.56
    aniline 0.44
    1,3-propanediol 1.75
    bromobenzene 0.05
    dibromomethane 0.07
    1,1,2,2-tetrachloroethane 0.25
    2-methyl-cyclohexyl acetate 0.99
    tetrabutyl urea 1.83
    diisobutyl methanol 0.16
    2-phenylethanol 0.71
    styrene 0.08
    dioctyl adipate 1.04
    dimethyl sulfate 8.69
    ethyl butyrate 0.89
    methyl lactate 4.75
    butyl lactate 1.49
    diethyl carbonate 0.84
    propanediol butyl ether 2.98
    triethyl orthoformate 1.09
    p-tert-butyltoluene 0.13
    methyl 4-tert-butylbenzoate 2.25
    morpholine 2.16
    tert-butylamine 0.14
    n-dodecanol 0.14
    dimethoxymethane 5.67
    ethylene carbonate 1.2
    cyrene 9.31
    2-ethoxyethyl acetate 1.03
    2-ethylhexyl acetate 0.61
    1,2,4-trichlorobenzene 0.24
    4-methylpyridine 1.45
    dibutyl ether 0.25
    2,6-dimethyl-4-heptanol 0.16
    DEF 4.17
    dimethyl isosorbide 9.16
    tetrachloroethylene 0.13
    eugenol 3.15
    triacetin 2.02
    span 80 2.53
    1,4-butanediol 0.91
    1,1-dichloroethane 0.05
    2-methyl-1-pentanol 0.28
    methyl formate 6.04
    2-methyl-1-butanol 0.31
    n-decane 0.01
    butyronitrile 0.36
    3,7-dimethyl-1-octanol 0.23
    1-chlorooctane 0.05
    1-chlorotetradecane 0.03
    n-nonane 0.01
    undecane 0.01
    tert-butylcyclohexane 0.01
    cyclooctane 0.01
    cyclopentanol 0.39
    tetrahydropyran 0.26
    tert-amyl methyl ether 0.43
    2,5,8-trioxanonane 9.64
    1-hexene 0.05
    2-isopropoxyethanol 2.07
    2,2,2-trifluoroethanol 1.4
    methyl butyrate 1.28

    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