Amitrole

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  • Identifiers

    CAS number
    61-82-5

    Molecular formula
    C2H4N4

    SMILES
    C1=NNC(=N1)N

    Safety labels

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Odorless 44.94%
    Nutty 44.44%
    Roasted 41.79%
    Meaty 36.38%
    Burnt 31.6%
    Fishy 29.31%
    Musty 28.62%
    Cocoa 28.21%
    Popcorn 26.3%
    Cooked 25.08%

     

    Flavor
    Bitter 64.22%
    Nutty 41.92%
    Roasted 36.95%
    Cocoa 28.53%
    Coffee 28.3%
    Odorless 26.43%
    Musty 25.2%
    Chocolate 25.11%
    Hazelnut 23.81%
    Peanut 23.39%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -0.4

    pKa est.
    7.59 (neutral)

    Molecular weight
    84.08 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    334°C

    Melting point expt.

    • 318 °F (NTP, 1992)
    • 159 °C
    • MP: 150-153 °C. /TECHNICAL GRADE/
    • MP: 153-159 °C. /TECHNICAL GRADE/
    • 318 °F

    Flash point

    • 200.58 ˚C est.

    Solubility expt.

    • 7.6 [ug/mL] (The mean of the results at pH 7.4)
    • greater than or equal to 100 mg/mL at 63.5 °F (NTP, 1992)
    • 2.6X10+5 mg/L in ethanol at 75 °C. Slightly soluble in chloroform, acetonitrile, and ethyl acetate; and insoluble in acetone, ether, hydrocarbons
    • In water, 2.8X10+5 mg/L at 25 °C
    • Solubility in water, g/l at 25 °C: 280
    • (77 °F): 28%

  • Synonyms

    • Amitrole
    • 3-amino-1,2,4-triazole
    • 61-82-5
    • 4H-1,2,4-triazol-3-amine
    • 1H-1,2,4-Triazol-5-amine
    • 1H-1,2,4-Triazol-3-amine
    • Aminotriazole
    • 65312-61-0
    • 3-Aminotriazole
    • Amitrol
    • 3-Amino-1H-1,2,4-triazole
    • Amizol
    • 3-Amino-s-triazole
    • Weedazol
    • Cytrol
    • Emisol
    • Vorox
    • 65380-04-3
    • Azaplant
    • Herbizole
    • Triazolamine
    • Weedazin
    • Weedoclor
    • Azolan
    • Cytrole
    • Elmasil
    • Fenavar
    • Azaplant kombi
    • Herbidal total
    • Weedex granulat
    • Weedazin arginit
    • Amizol dp nau
    • Amitrol-T
    • Kleer-Lot
    • Radoxone TL
    • x-all Liquid
    • Amizol D
    • Amizol F
    • Emisol F
    • Weedar AT
    • Weedar ADS
    • Vorox AA
    • Vorox AS
    • Amitolamitril
    • Ramizol
    • Amitrol 90
    • (4H)-1,2,4-Triazol-3-amine
    • Weedazol super
    • Emisol 50
    • Weedazol T
    • Usaf xr-22
    • Campaprim A 1544
    • 3-AT
    • Weedazol GP2
    • Diurol 5030
    • Aminotriazol-spritzpulver
    • Diurol
    • Simazol
    • Orga-414
    • 2-AMINO-1,3,4-TRIAZOLE
    • s-Triazole, 3-amino-
    • 2H-[1,2,4]Triazol-3-ylamine
    • 3H-1,2,4-Triazol-3-imine, 2,4-dihydro-
    • Amitril T.L.
    • Aminotriazole (plant regulator)
    • 5-Amino-1H-1,2,4-triazole
    • Domatol
    • 1H-1,2,4-Triazol-3-ylamine
    • ENT 25445
    • Amitrole [ISO]
    • Domatol 88
    • Amino triazole weedkiller 90
    • ZF80H5GXUF
    • 1,2,4-Triazol-3-amine
    • 5-amino-1,2,4-triazole
    • DTXSID0020076
    • 1H-1,2,4-Triazole-3-amine
    • CHEBI:40036
    • NSC7243
    • 1H-[1,2,4]Triazol-3-ylamine
    • AMITROLE [HSDB]
    • AMITROLE [IARC]
    • AMITROLE [MI]
    • NSC-34809
    • 1,2,4-triazol-3-ylamine
    • DTXCID9076
    • CHEMBL232801
    • 1,2,4-Triazole, 3-amino-
    • 155-25-9
    • NSC34809
    • ENT-25445
    • 3-Amino-1,2,4-triazole (Amitrole)
    • Trapidil EP impurity B
    • TRAPIDIL IMPURITY B [EP IMPURITY]
    • AMITROLE (IARC)
    • 3-Amino-1,4-triazol
    • 2-Amino-1,4-triazole
    • 3-Amino-1,4-triazole
    • 2,3,5,6-Tetraazabicyclo[2.1.1]hex-1-ene
    • WLN: T5MN DNJ CZ
    • 1H-1,4-Triazol-3-amine
    • 218787-12-3
    • 3-Amino-1H-1,4-triazole
    • 5-Amino-1H-1,4-triazole
    • Caswell No. 040
    • amitol
    • Weedazole
    • Maxata
    • RCRA waste number U011
    • CAS-61-82-5
    • CCRIS 40
    • .DELTA.2-1,4-Triazoline, 5-imino-
    • Amitrole [ANSI:BSI:ISO]
    • TRAPIDIL IMPURITY B (EP IMPURITY)
    • ATA (amine)
    • HSDB 2953
    • EINECS 200-521-5
    • UNII-ZF80H5GXUF
    • NSC 34809
    • 2,3,5,6-TETRAAZABICYCLO(2.1.1)HEX-1-ENE
    • RCRA waste no. U011
    • EPA Pesticide Chemical Code 004401
    • 3-Amino-1,2,4-triazol
    • 3-Amino-1.2.4-Triazole
    • 3aminotriazole
    • 2H-1,2,4-triazol-3-amine
    • MSS aminotriazole
    • 4lpf

  • Applications

    Amitrole (CAS 61-82-5) is primarily used in agriculture as a non-selective herbicide for weed control in crop production. It is also regarded as a chemical intermediate and building block in the synthesis of heterocyclic/triazole compounds for agrochemical and pharmaceutical applications. In laboratory settings, amitrole is commonly used as a reagent and precursor in synthesis and chemical research. Additionally, it may appear in the development of agrochemical formulations and related specialty products.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 52.18
    methanol 130.58
    isopropanol 24.8
    water 158.93
    ethyl acetate 4.72
    n-propanol 26.51
    acetone 16.66
    n-butanol 13.78
    acetonitrile 7.14
    DMF 417.99
    toluene 1.68
    isobutanol 13.59
    1,4-dioxane 8.38
    methyl acetate 9.12
    THF 34.71
    2-butanone 6.57
    n-pentanol 6.59
    sec-butanol 10.91
    n-hexane 0.22
    ethylene glycol 51.07
    NMP 246.06
    cyclohexane 0.24
    DMSO 101.7
    n-butyl acetate 2.29
    n-octanol 1.44
    chloroform 5.1
    n-propyl acetate 2.4
    acetic acid 58.65
    dichloromethane 5.3
    cyclohexanone 10.55
    propylene glycol 49.99
    isopropyl acetate 2.67
    DMAc 215.33
    2-ethoxyethanol 28.07
    isopentanol 7.56
    n-heptane 0.22
    ethyl formate 18.07
    1,2-dichloroethane 2.9
    n-hexanol 2.52
    2-methoxyethanol 107.9
    isobutyl acetate 1.54
    tetrachloromethane 1.97
    n-pentyl acetate 2.62
    transcutol 15.86
    n-heptanol 2.37
    ethylbenzene 0.45
    MIBK 3.0
    2-propoxyethanol 16.86
    tert-butanol 10.79
    MTBE 3.1
    2-butoxyethanol 13.26
    propionic acid 25.8
    o-xylene 1.35
    formic acid 181.63
    diethyl ether 2.96
    m-xylene 1.2
    p-xylene 0.85
    chlorobenzene 1.48
    dimethyl carbonate 15.54
    n-octane 0.09
    formamide 178.88
    cyclopentanone 27.97
    2-pentanone 5.29
    anisole 2.41
    cyclopentyl methyl ether 7.97
    gamma-butyrolactone 46.32
    1-methoxy-2-propanol 54.72
    pyridine 13.34
    3-pentanone 3.22
    furfural 57.96
    n-dodecane 0.07
    diethylene glycol 24.92
    diisopropyl ether 0.59
    tert-amyl alcohol 7.44
    acetylacetone 6.87
    n-hexadecane 0.07
    acetophenone 3.27
    methyl propionate 10.47
    isopentyl acetate 2.04
    trichloroethylene 6.5
    n-nonanol 1.39
    cyclohexanol 5.6
    benzyl alcohol 5.62
    2-ethylhexanol 1.23
    isooctanol 1.8
    dipropyl ether 1.54
    1,2-dichlorobenzene 1.34
    ethyl lactate 5.83
    propylene carbonate 19.61
    n-methylformamide 164.69
    2-pentanol 4.58
    n-pentane 0.32
    1-propoxy-2-propanol 9.48
    1-methoxy-2-propyl acetate 5.23
    2-(2-methoxypropoxy) propanol 7.89
    mesitylene 0.65
    ε-caprolactone 12.09
    p-cymene 0.52
    epichlorohydrin 24.97
    1,1,1-trichloroethane 2.24
    2-aminoethanol 80.55
    morpholine-4-carbaldehyde 95.88
    sulfolane 65.06
    2,2,4-trimethylpentane 0.16
    2-methyltetrahydrofuran 11.91
    n-hexyl acetate 2.03
    isooctane 0.09
    2-(2-butoxyethoxy)ethanol 9.71
    sec-butyl acetate 1.27
    tert-butyl acetate 2.38
    decalin 0.12
    glycerin 90.51
    diglyme 22.1
    acrylic acid 34.46
    isopropyl myristate 0.7
    n-butyric acid 20.89
    acetyl acetate 3.06
    di(2-ethylhexyl) phthalate 2.19
    ethyl propionate 2.35
    nitromethane 71.81
    1,2-diethoxyethane 2.6
    benzonitrile 4.08
    trioctyl phosphate 1.41
    1-bromopropane 1.57
    gamma-valerolactone 55.73
    n-decanol 0.96
    triethyl phosphate 1.79
    4-methyl-2-pentanol 2.15
    propionitrile 6.02
    vinylene carbonate 20.15
    1,1,2-trichlorotrifluoroethane 48.74
    DMS 3.21
    cumene 0.4
    2-octanol 1.14
    2-hexanone 2.18
    octyl acetate 1.27
    limonene 0.71
    1,2-dimethoxyethane 25.68
    ethyl orthosilicate 1.7
    tributyl phosphate 1.51
    diacetone alcohol 8.46
    N,N-dimethylaniline 2.92
    acrylonitrile 12.66
    aniline 7.08
    1,3-propanediol 54.14
    bromobenzene 0.88
    dibromomethane 2.37
    1,1,2,2-tetrachloroethane 5.79
    2-methyl-cyclohexyl acetate 1.54
    tetrabutyl urea 2.9
    diisobutyl methanol 0.8
    2-phenylethanol 2.9
    styrene 0.6
    dioctyl adipate 1.51
    dimethyl sulfate 34.45
    ethyl butyrate 1.91
    methyl lactate 27.16
    butyl lactate 5.86
    diethyl carbonate 1.61
    propanediol butyl ether 12.35
    triethyl orthoformate 2.23
    p-tert-butyltoluene 0.52
    methyl 4-tert-butylbenzoate 5.6
    morpholine 25.57
    tert-butylamine 3.9
    n-dodecanol 0.67
    dimethoxymethane 55.29
    ethylene carbonate 13.37
    cyrene 14.03
    2-ethoxyethyl acetate 4.57
    2-ethylhexyl acetate 1.5
    1,2,4-trichlorobenzene 2.09
    4-methylpyridine 13.57
    dibutyl ether 0.82
    2,6-dimethyl-4-heptanol 0.8
    DEF 22.15
    dimethyl isosorbide 10.12
    tetrachloroethylene 4.83
    eugenol 7.7
    triacetin 3.55
    span 80 6.63
    1,4-butanediol 18.21
    1,1-dichloroethane 2.78
    2-methyl-1-pentanol 3.67
    methyl formate 97.1
    2-methyl-1-butanol 8.27
    n-decane 0.11
    butyronitrile 6.16
    3,7-dimethyl-1-octanol 1.16
    1-chlorooctane 0.29
    1-chlorotetradecane 0.15
    n-nonane 0.1
    undecane 0.08
    tert-butylcyclohexane 0.11
    cyclooctane 0.1
    cyclopentanol 15.11
    tetrahydropyran 5.55
    tert-amyl methyl ether 2.81
    2,5,8-trioxanonane 13.05
    1-hexene 0.61
    2-isopropoxyethanol 10.13
    2,2,2-trifluoroethanol 43.28
    methyl butyrate 4.65

    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