Quinoclamine

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  • Identifiers

    CAS number
    2797-51-5

    Molecular formula
    C10H6ClNO2

    SMILES
    C1=CC=C2C(=C1)C(=O)C(=C(C2=O)Cl)N

    Safety labels

    Irritant
    Irritant

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Odorless 48.32%
    Sweet 40.65%
    Caramellic 38.4%
    Burnt 37.94%
    Bitter 24.66%
    Phenolic 20.9%
    Spicy 19.28%
    Sharp 18.0%
    Savory 17.54%
    Nutty 17.26%

     

    Flavor
    Bitter 82.93%
    Odorless 26.23%
    Nitrile 20.62%
    Very strong 19.5%
    Bread crust 19.45%
    Taco 19.31%
    Lovage 19.17%
    Indole 19.12%
    Cedarleaf 18.55%
    Rotten 18.51%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.1

    pKa est.
    5.3 (weak acid)

    Molecular weight
    207.61 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    378°C

    Flash point

    • 171.48 ˚C est.

  • Synonyms

    • Quinoclamine
    • 2797-51-5
    • 2-Amino-3-chloro-1,4-naphthoquinone
    • 2-amino-3-chloronaphthalene-1,4-dione
    • JN6NK7K14F
    • NSC-3910
    • NSC-642009
    • DTXSID1041390
    • 2-ACl-NQ
    • RefChem:871963
    • DTXCID9021390
    • 220-529-2
    • Quinoclamin
    • Mogeton
    • ACNQ
    • 06K-Quinone
    • O 6K-quinone
    • Mogeton granule
    • Mogeton G
    • 1,4-Naphthalenedione, 2-amino-3-chloro-
    • Quinoclamine [ISO]
    • NSC 3910
    • MFCD00001680
    • 2-Amino-3-chloronaphthoquinone
    • 1,4-Naphthoquinone, 2-amino-3-chloro-
    • 2-Chloro-3-amino-1,4-naphthoquinone
    • 06K-50W
    • NSC 642009
    • 2-amino-3-chloro-1,4-dihydronaphthalene-1,4-dione
    • 06K
    • MLS002701536
    • NSC3910
    • NSC642009
    • Quinoclamine 100 microg/mL in Acetone
    • 2-amino-3-chloro-naphthalene-1,4-dione
    • 3-amino-2-chloronaphthalene-1,4-dione
    • EINECS 220-529-2
    • UNII-JN6NK7K14F
    • BRN 2094762
    • 2-Amino-3-chloro-[1,4]naphthoquinone
    • Quinoclamine (Standard)
    • QUINOCLAMINE [MI]
    • 1, 2-amino-3-chloro-
    • SCHEMBL119489
    • CHEMBL156959
    • orb1307818
    • SCHEMBL7127739
    • SCHEMBL29440919
    • CHEBI:81849
    • OBLNWSCLAYSJJR-UHFFFAOYSA-
    • WLN: L66 BV EVJ CZ DG
    • BB_SC-05229
    • CAA79751
    • MSK22541
    • EBC-06339
    • SBB008204
    • STK260051
    • 3-Chloro-2-amino-1,4-naphthoquinone
    • AKOS000108631
    • DS-0569
    • HY-121632R
    • RTI1218-1-1
    • NCI60_014211
    • SMR001565137
    • SY047011
    • DB-080905
    • HY-121632
    • 2-azanyl-3-chloranyl-naphthalene-1,4-dione
    • A1288
    • CS-0082921
    • NS00006275
    • ST45016223
    • EN300-29644
    • 2-AMINO-3-CHLORO-1,4-NAPHTHALENEDIONE
    • C18584
    • E78086
    • Quinoclamine, PESTANAL(R), analytical standard
    • A819269
    • F214786
    • 2-amino-3-chloro-1,4-dihydro-1,4-dioxonaphthalene
    • Q2123248
    • 2-amino-3-chloro-1,4-dihydro-1,4-dioxo-naphthalene
    • Z57178974
    • InChI=1/C10H6ClNO2/c11-7-8(12)10(14)6-4-2-1-3-5(6)9(7)13/h1-4H,12H2
    • Butanedioic acid,4-dihydro-1,4-dioxo- 2-naphthalenyl)amino]1,2-dioxo]ethyl]-3-oxo-, dimethyl ester
    • 2797-51-5

  • Applications

    Quinoclamine (CAS 2797-51-5) is primarily used in agriculture as a selective herbicide for weed control in rice paddies and other crops, with applications in post-emergence and, where appropriate, pre-emergence programs to minimize crop injury while targeting grass and broadleaf weeds. It is formulated into common agrochemical products such as emulsifiable concentrates and water-dispersible formulations for spray applications within integrated weed management. The chemical functions as the active ingredient in crop-protection formulations and is frequently evaluated for tank-mix compatibility with other herbicides to broaden effective weed control. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5.25
    methanol 5.86
    isopropanol 3.89
    water 0.61
    ethyl acetate 7.61
    n-propanol 3.75
    acetone 20.63
    n-butanol 3.53
    acetonitrile 8.75
    DMF 96.07
    toluene 5.68
    isobutanol 2.98
    1,4-dioxane 16.81
    methyl acetate 9.73
    THF 21.78
    2-butanone 12.79
    n-pentanol 5.04
    sec-butanol 2.6
    n-hexane 0.31
    ethylene glycol 7.21
    NMP 60.72
    cyclohexane 0.42
    DMSO 59.54
    n-butyl acetate 8.95
    n-octanol 8.16
    chloroform 14.12
    n-propyl acetate 7.52
    acetic acid 7.71
    dichloromethane 22.28
    cyclohexanone 22.04
    propylene glycol 2.58
    isopropyl acetate 6.12
    DMAc 71.54
    2-ethoxyethanol 15.69
    isopentanol 4.1
    n-heptane 0.97
    ethyl formate 11.65
    1,2-dichloroethane 20.15
    n-hexanol 7.48
    2-methoxyethanol 22.47
    isobutyl acetate 4.24
    tetrachloromethane 3.14
    n-pentyl acetate 12.46
    transcutol 20.88
    n-heptanol 9.16
    ethylbenzene 5.41
    MIBK 8.31
    2-propoxyethanol 19.99
    tert-butanol 5.67
    MTBE 3.51
    2-butoxyethanol 17.93
    propionic acid 5.09
    o-xylene 7.2
    formic acid 9.33
    diethyl ether 4.09
    m-xylene 6.15
    p-xylene 7.17
    chlorobenzene 9.77
    dimethyl carbonate 12.76
    n-octane 0.88
    formamide 23.98
    cyclopentanone 29.62
    2-pentanone 10.74
    anisole 10.42
    cyclopentyl methyl ether 8.07
    gamma-butyrolactone 28.52
    1-methoxy-2-propanol 13.94
    pyridine 21.2
    3-pentanone 9.86
    furfural 41.08
    n-dodecane 1.02
    diethylene glycol 25.59
    diisopropyl ether 1.86
    tert-amyl alcohol 3.99
    acetylacetone 20.27
    n-hexadecane 1.19
    acetophenone 17.31
    methyl propionate 10.33
    isopentyl acetate 7.57
    trichloroethylene 34.43
    n-nonanol 8.45
    cyclohexanol 4.25
    benzyl alcohol 13.47
    2-ethylhexanol 6.08
    isooctanol 7.37
    dipropyl ether 5.49
    1,2-dichlorobenzene 13.37
    ethyl lactate 8.34
    propylene carbonate 15.1
    n-methylformamide 28.41
    2-pentanol 2.47
    n-pentane 0.3
    1-propoxy-2-propanol 12.1
    1-methoxy-2-propyl acetate 13.33
    2-(2-methoxypropoxy) propanol 14.66
    mesitylene 4.5
    ε-caprolactone 16.75
    p-cymene 6.14
    epichlorohydrin 32.03
    1,1,1-trichloroethane 8.32
    2-aminoethanol 6.29
    morpholine-4-carbaldehyde 51.24
    sulfolane 45.29
    2,2,4-trimethylpentane 0.31
    2-methyltetrahydrofuran 9.49
    n-hexyl acetate 12.72
    isooctane 0.33
    2-(2-butoxyethoxy)ethanol 16.9
    sec-butyl acetate 4.4
    tert-butyl acetate 6.92
    decalin 0.69
    glycerin 8.94
    diglyme 35.17
    acrylic acid 7.79
    isopropyl myristate 6.34
    n-butyric acid 6.33
    acetyl acetate 7.13
    di(2-ethylhexyl) phthalate 9.12
    ethyl propionate 7.08
    nitromethane 24.47
    1,2-diethoxyethane 11.08
    benzonitrile 18.07
    trioctyl phosphate 7.79
    1-bromopropane 5.19
    gamma-valerolactone 39.98
    n-decanol 7.06
    triethyl phosphate 6.7
    4-methyl-2-pentanol 2.78
    propionitrile 7.42
    vinylene carbonate 17.52
    1,1,2-trichlorotrifluoroethane 29.12
    DMS 12.99
    cumene 4.45
    2-octanol 6.62
    2-hexanone 10.55
    octyl acetate 8.74
    limonene 6.61
    1,2-dimethoxyethane 29.05
    ethyl orthosilicate 5.9
    tributyl phosphate 6.89
    diacetone alcohol 13.6
    N,N-dimethylaniline 12.39
    acrylonitrile 14.76
    aniline 8.79
    1,3-propanediol 8.21
    bromobenzene 8.75
    dibromomethane 10.95
    1,1,2,2-tetrachloroethane 23.91
    2-methyl-cyclohexyl acetate 8.38
    tetrabutyl urea 14.42
    diisobutyl methanol 4.42
    2-phenylethanol 15.46
    styrene 5.36
    dioctyl adipate 9.49
    dimethyl sulfate 25.93
    ethyl butyrate 7.86
    methyl lactate 11.95
    butyl lactate 11.37
    diethyl carbonate 6.17
    propanediol butyl ether 13.36
    triethyl orthoformate 6.71
    p-tert-butyltoluene 5.48
    methyl 4-tert-butylbenzoate 19.04
    morpholine 15.17
    tert-butylamine 3.05
    n-dodecanol 5.6
    dimethoxymethane 33.48
    ethylene carbonate 13.28
    cyrene 22.84
    2-ethoxyethyl acetate 16.27
    2-ethylhexyl acetate 6.64
    1,2,4-trichlorobenzene 15.04
    4-methylpyridine 18.81
    dibutyl ether 5.8
    2,6-dimethyl-4-heptanol 4.42
    DEF 21.73
    dimethyl isosorbide 26.64
    tetrachloroethylene 20.6
    eugenol 22.25
    triacetin 13.7
    span 80 13.15
    1,4-butanediol 6.06
    1,1-dichloroethane 8.07
    2-methyl-1-pentanol 5.07
    methyl formate 25.9
    2-methyl-1-butanol 3.21
    n-decane 1.46
    butyronitrile 6.8
    3,7-dimethyl-1-octanol 6.27
    1-chlorooctane 5.72
    1-chlorotetradecane 2.84
    n-nonane 1.19
    undecane 1.22
    tert-butylcyclohexane 0.63
    cyclooctane 0.32
    cyclopentanol 5.71
    tetrahydropyran 6.69
    tert-amyl methyl ether 3.78
    2,5,8-trioxanonane 26.37
    1-hexene 1.52
    2-isopropoxyethanol 10.82
    2,2,2-trifluoroethanol 9.05
    methyl butyrate 10.48

    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