Flumequine

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  • Identifiers

    CAS number
    42835-25-6

    Molecular formula
    C14H12FNO3

    SMILES
    CC1CCC2=C3N1C=C(C(=O)C3=CC(=C2)F)C(=O)O

    Safety labels

    Irritant
    Irritant

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Odorless 62.58%
    Grape 24.5%
    Animal 24.14%
    Bitter 23.37%
    Phenolic 21.68%
    Burnt 19.75%
    Musk 19.33%
    Neroli 18.99%
    Dry 18.93%
    Powdery 18.57%

     

    Flavor
    Bitter 86.35%
    Odorless 41.57%
    Mild 22.54%
    Bland 21.44%
    Nitrile 20.76%
    Sweet-like 20.3%
    Very strong 20.18%
    Cedarleaf 20.07%
    Indole 19.84%
    Lovage 19.75%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.9

    pKa est.
    5.76 (weak acid)

    Molecular weight
    261.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    487°C

    Melting point expt.

    • 253-255 °C
    • 253 - 255 °C

    Flash point

    • 215.88 ˚C est.

    Solubility expt.

    • Insoluble in water
    • Soluble in alkaline solutions and alcohol

  • Synonyms

    • flumequine
    • 42835-25-6
    • Apurone
    • Flumigal
    • Flumequino
    • Flumequinum
    • Flumiquil
    • Flumisol
    • Flumix
    • Imequyl
    • R 802 (bactericide)
    • 9-Fluoro-5-methyl-1-oxo-1,5,6,7-tetrahydropyrido[3,2,1-ij]quinoline-2-carboxylic acid
    • Flumequinum [INN-Latin]
    • Flumequino [INN-Spanish]
    • Flumequina
    • UNII-UVG8VSP2SJ
    • UVG8VSP2SJ
    • HSDB 7034
    • R 802
    • R-802
    • EINECS 255-962-6
    • MFCD00079298
    • Apurone (TN)
    • Flumequine [USAN:INN:BAN]
    • NSC-757806
    • DTXSID5045623
    • FLUMEQUINE [MI]
    • FLUMEQUINE [INN]
    • FLUMEQUINE [HSDB]
    • FLUMEQUINE [USAN]
    • FLUMEQUINE [MART.]
    • FLUMEQUINE [WHO-DD]
    • 1H,5H-Benzo(ij)quinolizine-2-carboxylic acid, 9-fluoro-6,7-dihydro-5-methyl-1-oxo-
    • MLS000069546
    • DTXCID3025623
    • CHEBI:85269
    • FLUMEQUINE [EP MONOGRAPH]
    • 9-Fluoro-5-methyl-1-oxo-6,7-dihydro-1H,5H-pyrido[3,2,1-ij]quinoline-2-carboxylic acid
    • 9-Fluoro-6,7-dihydro-5-methyl-1-oxo-1H,5H-benzo(ij)quinolizine-2-carboxylic acid
    • NSC 757806
    • NCGC00018211-03
    • SMR000058826
    • Flumequinum (INN-Latin)
    • Flumequino (INN-Spanish)
    • 6,7-Dihydro-9-fluoro-5-methyl-1-oxo-1H,5H-quinolizine-2-carboxylic acid
    • FLUMEQUINE (MART.)
    • 1H,5H-Benzo[ij]quinolizine-2-carboxylic acid, 9-fluoro-6,7-dihydro-5-methyl-1-oxo-
    • FLUMEQUINE (EP MONOGRAPH)
    • 6,7-DIHYDRO-9-FLUORO-5-METHYL-1-OXO-1H,5H-BENZO(I,J)QUINOLIZINE-2-CARBOXYLIC ACID
    • 7-fluoro-12-methyl-4-oxo-1-azatricyclo[7.3.1.0^{5,13}]trideca-2,5,7,9(13)-tetraene-3-carboxylic acid
    • FLM
    • SR-01000000130
    • Fantacin
    • Benzo Quinolizine
    • 9-Fluoro-6,7-dihydro-5-methyl-1-oxo-1H,5H-benzo(ij)-quinolizine-2-carboxylic acid
    • 9-Fluoro-6,7-dihydro-5-methyl-1-oxo-1H,5H-benzo[ij]-quinolizine-2-carboxylic acid
    • 7-fluoro-12-methyl-4-oxo-1-azatricyclo(7.3.1.0^(5,13))trideca-2,5,7,9(13)-tetraene-3-carboxylic acid
    • Flumequine; (RS)-9-Fluoro-5-methyl-1-oxo-6,7-dihydro-1H,5H-benzo[i,j]quinolizine-2-carboxylic acid
    • rac-9-fluoro-5-methyl-1-oxo-6,7-dihydro-1H,5H-pyrido(3,2,1-ij)quinoline-2-carboxylic acid
    • rac-9-fluoro-5-methyl-1-oxo-6,7-dihydro-1H,5H-pyrido[3,2,1-ij]quinoline-2-carboxylic acid
    • Prestwick_603
    • CAS-42835-25-6
    • Flumequinum (Latin)
    • Flumequino (Spanish)
    • Flumequine (Standard)
    • Spectrum_000367
    • Flumequine (USAN/INN)
    • Opera_ID_1399
    • Prestwick0_000204
    • Prestwick1_000204
    • Prestwick2_000204
    • Prestwick3_000204
    • Spectrum2_001200
    • Spectrum3_001417
    • Spectrum4_000826
    • Spectrum5_001532
    • SCHEMBL49829
    • BSPBio_000187
    • BSPBio_003094
    • KBioGR_001371
    • KBioSS_000847
    • MLS001074120
    • DivK1c_000089
    • SPECTRUM1500992
    • SPBio_001279
    • SPBio_002108
    • BPBio1_000207
    • CHEMBL370252
    • CHEBI:85267
    • CHEBI:94431
    • HMS500E11
    • HY-B0526R
    • KBio1_000089
    • KBio2_000847
    • KBio2_003415
    • KBio2_005983
    • KBio3_002314
    • J01MB07
    • NINDS_000089
    • HMS1568J09
    • HMS1921O10
    • HMS2092O08
    • HMS2095J09
    • HMS2230F14
    • HMS3373O15
    • HMS3652K09
    • HMS3712J09
    • Pharmakon1600-01500992
    • HY-B0526
    • Tox21_110840
    • CCG-40315
    • NSC757806
    • s3181
    • fluoro-methyl-oxo-[?]carboxylic acid
    • AKOS015904879
    • Tox21_110840_1
    • AC-1284
    • DB08972
    • FF23327
    • HS-0096
    • IDI1_000089
    • NCGC00018211-02
    • NCGC00018211-04
    • NCGC00018211-05
    • NCGC00018211-06
    • NCGC00018211-10
    • NCGC00089803-02
    • NCGC00089803-03

  • Applications

    Flumequine (CAS 42835-25-6) is a synthetic fluoroquinolone used in veterinary medicine as an antimicrobial agent for livestock and aquaculture; in pharmaceutical manufacturing it functions as an intermediate/building block for the synthesis of fluoroquinolone antibiotics; in medicinal chemistry research it is evaluated as a scaffold for developing related compounds; and in analytical and quality-control workflows it serves as a reference material and analytical standard for method development and impurity profiling.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4.79
    methanol 7.61
    isopropanol 3.16
    water 0.04
    ethyl acetate 10.56
    n-propanol 4.42
    acetone 14.54
    n-butanol 4.62
    acetonitrile 7.67
    DMF 25.35
    toluene 4.18
    isobutanol 3.67
    1,4-dioxane 6.92
    methyl acetate 12.57
    THF 44.59
    2-butanone 20.46
    n-pentanol 2.82
    sec-butanol 3.71
    n-hexane 0.05
    ethylene glycol 4.73
    NMP 97.57
    cyclohexane 0.1
    DMSO 79.28
    n-butyl acetate 14.19
    n-octanol 0.84
    chloroform 8.69
    n-propyl acetate 8.56
    acetic acid 15.08
    dichloromethane 19.53
    cyclohexanone 27.45
    propylene glycol 4.23
    isopropyl acetate 7.69
    DMAc 61.74
    2-ethoxyethanol 17.04
    isopentanol 6.21
    n-heptane 0.08
    ethyl formate 12.15
    1,2-dichloroethane 17.58
    n-hexanol 4.5
    2-methoxyethanol 37.51
    isobutyl acetate 4.68
    tetrachloromethane 2.26
    n-pentyl acetate 6.26
    transcutol 35.48
    n-heptanol 2.42
    ethylbenzene 2.48
    MIBK 8.78
    2-propoxyethanol 28.47
    tert-butanol 5.17
    MTBE 2.16
    2-butoxyethanol 14.04
    propionic acid 10.1
    o-xylene 3.71
    formic acid 17.61
    diethyl ether 1.82
    m-xylene 3.99
    p-xylene 3.27
    chlorobenzene 5.43
    dimethyl carbonate 8.54
    n-octane 0.02
    formamide 35.14
    cyclopentanone 56.47
    2-pentanone 12.59
    anisole 7.0
    cyclopentyl methyl ether 8.99
    gamma-butyrolactone 68.05
    1-methoxy-2-propanol 21.27
    pyridine 19.28
    3-pentanone 8.77
    furfural 61.85
    n-dodecane 0.03
    diethylene glycol 32.74
    diisopropyl ether 0.76
    tert-amyl alcohol 5.54
    acetylacetone 22.38
    n-hexadecane 0.03
    acetophenone 15.79
    methyl propionate 12.04
    isopentyl acetate 14.12
    trichloroethylene 37.0
    n-nonanol 0.95
    cyclohexanol 4.03
    benzyl alcohol 11.2
    2-ethylhexanol 3.69
    isooctanol 2.28
    dipropyl ether 2.09
    1,2-dichlorobenzene 7.61
    ethyl lactate 9.93
    propylene carbonate 29.79
    n-methylformamide 23.02
    2-pentanol 2.33
    n-pentane 0.05
    1-propoxy-2-propanol 15.89
    1-methoxy-2-propyl acetate 22.36
    2-(2-methoxypropoxy) propanol 16.96
    mesitylene 2.02
    ε-caprolactone 29.09
    p-cymene 3.19
    epichlorohydrin 83.94
    1,1,1-trichloroethane 10.1
    2-aminoethanol 7.26
    morpholine-4-carbaldehyde 50.32
    sulfolane 107.04
    2,2,4-trimethylpentane 0.1
    2-methyltetrahydrofuran 21.98
    n-hexyl acetate 5.35
    isooctane 0.06
    2-(2-butoxyethoxy)ethanol 16.75
    sec-butyl acetate 6.35
    tert-butyl acetate 9.76
    decalin 0.17
    glycerin 15.36
    diglyme 32.01
    acrylic acid 13.03
    isopropyl myristate 1.86
    n-butyric acid 13.29
    acetyl acetate 9.14
    di(2-ethylhexyl) phthalate 5.79
    ethyl propionate 8.73
    nitromethane 37.9
    1,2-diethoxyethane 5.33
    benzonitrile 12.27
    trioctyl phosphate 3.53
    1-bromopropane 4.26
    gamma-valerolactone 69.31
    n-decanol 0.74
    triethyl phosphate 8.55
    4-methyl-2-pentanol 2.19
    propionitrile 7.3
    vinylene carbonate 21.44
    1,1,2-trichlorotrifluoroethane 55.46
    DMS 11.15
    cumene 2.29
    2-octanol 0.99
    2-hexanone 8.92
    octyl acetate 2.86
    limonene 3.11
    1,2-dimethoxyethane 20.9
    ethyl orthosilicate 6.72
    tributyl phosphate 4.68
    diacetone alcohol 22.55
    N,N-dimethylaniline 5.88
    acrylonitrile 13.13
    aniline 8.74
    1,3-propanediol 13.07
    bromobenzene 5.0
    dibromomethane 8.9
    1,1,2,2-tetrachloroethane 22.09
    2-methyl-cyclohexyl acetate 10.41
    tetrabutyl urea 6.84
    diisobutyl methanol 1.89
    2-phenylethanol 14.79
    styrene 2.24
    dioctyl adipate 4.62
    dimethyl sulfate 26.94
    ethyl butyrate 10.15
    methyl lactate 16.25
    butyl lactate 10.08
    diethyl carbonate 8.89
    propanediol butyl ether 9.33
    triethyl orthoformate 7.01
    p-tert-butyltoluene 2.47
    methyl 4-tert-butylbenzoate 13.84
    morpholine 12.44
    tert-butylamine 1.53
    n-dodecanol 0.52
    dimethoxymethane 13.95
    ethylene carbonate 16.18
    cyrene 28.82
    2-ethoxyethyl acetate 13.49
    2-ethylhexyl acetate 10.67
    1,2,4-trichlorobenzene 12.12
    4-methylpyridine 19.46
    dibutyl ether 0.81
    2,6-dimethyl-4-heptanol 1.89
    DEF 15.36
    dimethyl isosorbide 40.64
    tetrachloroethylene 15.17
    eugenol 16.46
    triacetin 10.02
    span 80 9.59
    1,4-butanediol 4.1
    1,1-dichloroethane 7.35
    2-methyl-1-pentanol 4.82
    methyl formate 19.43
    2-methyl-1-butanol 5.5
    n-decane 0.03
    butyronitrile 6.74
    3,7-dimethyl-1-octanol 1.63
    1-chlorooctane 0.4
    1-chlorotetradecane 0.18
    n-nonane 0.03
    undecane 0.03
    tert-butylcyclohexane 0.15
    cyclooctane 0.05
    cyclopentanol 8.22
    tetrahydropyran 5.46
    tert-amyl methyl ether 2.95
    2,5,8-trioxanonane 22.44
    1-hexene 0.43
    2-isopropoxyethanol 10.37
    2,2,2-trifluoroethanol 12.23
    methyl butyrate 13.01

    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