Benzimidazole

Overview IFRA Request a quote

  • Identifiers

    CAS number
    51-17-2

    Molecular formula
    C7H6N2

    SMILES
    C1=CC=C2C(=C1)NC=N2

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Burnt 57.53%
    Musty 46.19%
    Animal 45.15%
    Nutty 43.18%
    Roasted 42.37%
    Cheesy 36.93%
    Pungent 36.52%
    Coffee 35.3%
    Earthy 34.52%
    Meaty 34.36%

     

    Flavor
    Nutty 47.32%
    Bitter 45.46%
    Coffee 41.37%
    Roasted 40.02%
    Musty 34.55%
    Corn 33.16%
    Rubber 33.12%
    Fecal 32.76%
    Burnt 30.5%
    Animal 29.19%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.3

    pKa est.
    6.7 (neutral)

    Molecular weight
    118.14 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • 338 to 342 °F (NTP, 1992)
    • 170.5 °C

    Boiling point

    • greater than 680 °F at 760 mmHg (NTP, 1992)
    • >360 °C

    Flash point

    • 145.61 ˚C est.

    Solubility expt.

    • less than 1 mg/mL at 63 °F (NTP, 1992)
    • 2010 mg/L (at 20 °C)
    • Freely soluble in alcohol, sparingly soluble in ether. Practically insoluble in benzene, petroleum ether. One gram dissolves in 2 g boiling xylene. Soluble in aqueous solutions of acids and strong alkalis.
    • In water, 2.01X10+3 mg/l @ 30 °C
    • >17.7 [ug/mL] (The mean of the results at pH 7.4)

  • Synonyms

    • BENZIMIDAZOLE
    • 51-17-2
    • 1H-Benzimidazole
    • 1,3-Benzodiazole
    • Benzoimidazole
    • o-Benzimidazole
    • Benzoglyoxaline
    • 3-Azaindole
    • Benziminazole
    • Azindole
    • 1,3-Diazaindene
    • N,N'-Methenyl-o-phenylenediamine
    • NSC 759
    • NSC-759
    • E24GX49LD8
    • DTXSID8024573
    • CHEBI:41275
    • DTXCID704573
    • RefChem:5589
    • CHEBI:36622
    • 200-081-4
    • 1H-Benzo[d]imidazole
    • 1H-1,3-benzodiazole
    • 1H-Benzoimidazole
    • Benzimidazol
    • MFCD00005585
    • Azaindole
    • BZI
    • 1H-1,3-BENZIMIDAZOLE
    • benzimidazole phase betaetha
    • benzimidazole phase alphalpha
    • benzimidazole phase gammaamma
    • 26985-65-9
    • 1H-benzimidazol
    • CAS-51-17-2
    • CCRIS 5967
    • HSDB 2797
    • EINECS 200-081-4
    • bezimidazole
    • BRN 0109682
    • UNII-E24GX49LD8
    • benz-imidazole
    • Hbzim
    • Hbim
    • AI3-03737
    • 4dsu
    • Benzimidazole, 98%
    • 1,3-Benzodiazole, BZI
    • BENZIMIDAZOLE [MI]
    • Epitope ID:140095
    • SCHEMBL2862
    • SCHEMBL2863
    • SCHEMBL5837
    • SCHEMBL6009
    • BENZIMIDAZOLE [HSDB]
    • WLN: T56 BM DNJ
    • SCHEMBL19432
    • SCHEMBL22950
    • SCHEMBL74789
    • 5-23-06-00196 (Beilstein Handbook Reference)
    • MLS001066336
    • orb321972
    • SCHEMBL130544
    • SCHEMBL196628
    • SCHEMBL266753
    • SCHEMBL448485
    • SCHEMBL448763
    • SCHEMBL449014
    • SCHEMBL449578
    • SCHEMBL449814
    • SCHEMBL452033
    • SCHEMBL452243
    • SCHEMBL452446
    • SCHEMBL452667
    • SCHEMBL453001
    • SCHEMBL453002
    • SCHEMBL453116
    • BDBM7939
    • CHEMBL306226
    • F3366-5347
    • NSC759
    • SCHEMBL5752380
    • SCHEMBL15987494
    • SCHEMBL16861394
    • SCHEMBL17582898
    • SCHEMBL29358377
    • MSK5510
    • HMS2233D03
    • HMS3370L16
    • HY-Y1825
    • Tox21_202107
    • Tox21_303321
    • EBC-03198
    • SBB004294
    • STK397462
    • AKOS000119163
    • MSK5510-1000M
    • CS-W019944
    • DB02962
    • FB01168
    • PS-5765
    • NCGC00091255-01
    • NCGC00091255-02
    • NCGC00257173-01
    • NCGC00259656-01
    • SMR000471839
    • SY012765
    • DB-002016
    • B0054
    • NS00010836
    • ST50214470
    • EN300-33475
    • Benzimidazole Solution in Methanol, 1000ug/mL
    • C02009
    • D70829
    • F235007
    • Q415190
    • InChI=1/C7H6N2/c1-2-4-7-6(3-1)8-5-9-7/h1-5H,(H,8,9
    • 51-17-2

  • Applications

    Benzimidazole (CAS 51-17-2) is a versatile building block widely used across industries. In pharmaceuticals, it serves as a core scaffold and precursor for benzimidazole derivatives developed as drugs and biologically active agents. In agriculture, it provides the basis for benzimidazole-based fungicides such as benomyl and carbendazim. In dyes and pigments, it serves as a precursor for benzimidazole-containing dyes and pigments. In organic synthesis and materials, benzimidazole and its derivatives are used as ligands or catalysts in chemical reactions and as components in polymer-related applications.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 228.4
    methanol 365.22
    isopropanol 158.85
    water 5.53
    ethyl acetate 23.51
    n-propanol 193.64
    acetone 63.98
    n-butanol 157.28
    acetonitrile 25.16
    DMF 172.19
    toluene 5.48
    isobutanol 145.94
    1,4-dioxane 36.03
    methyl acetate 23.58
    THF 219.37
    2-butanone 54.43
    n-pentanol 157.5
    sec-butanol 153.13
    n-hexane 10.85
    ethylene glycol 63.52
    NMP 76.62
    cyclohexane 2.28
    DMSO 140.32
    n-butyl acetate 12.73
    n-octanol 19.16
    chloroform 41.8
    n-propyl acetate 15.99
    acetic acid 90.91
    dichloromethane 42.87
    cyclohexanone 42.33
    propylene glycol 66.47
    isopropyl acetate 14.48
    DMAc 86.67
    2-ethoxyethanol 144.23
    isopentanol 104.07
    n-heptane 5.62
    ethyl formate 27.73
    1,2-dichloroethane 29.01
    n-hexanol 50.93
    2-methoxyethanol 205.7
    isobutyl acetate 13.91
    tetrachloromethane 8.08
    n-pentyl acetate 20.15
    transcutol 211.02
    n-heptanol 26.77
    ethylbenzene 4.29
    MIBK 31.44
    2-propoxyethanol 85.19
    tert-butanol 86.93
    MTBE 42.92
    2-butoxyethanol 53.01
    propionic acid 61.24
    o-xylene 4.94
    formic acid 104.81
    diethyl ether 76.37
    m-xylene 5.44
    p-xylene 6.43
    chlorobenzene 10.57
    dimethyl carbonate 16.13
    n-octane 2.45
    formamide 140.22
    cyclopentanone 82.63
    2-pentanone 53.18
    anisole 18.86
    cyclopentyl methyl ether 54.12
    gamma-butyrolactone 64.63
    1-methoxy-2-propanol 135.44
    pyridine 42.83
    3-pentanone 35.26
    furfural 56.2
    n-dodecane 1.75
    diethylene glycol 74.09
    diisopropyl ether 14.68
    tert-amyl alcohol 82.63
    acetylacetone 25.97
    n-hexadecane 1.84
    acetophenone 17.74
    methyl propionate 30.48
    isopentyl acetate 14.64
    trichloroethylene 40.12
    n-nonanol 18.95
    cyclohexanol 44.37
    benzyl alcohol 28.18
    2-ethylhexanol 22.52
    isooctanol 21.9
    dipropyl ether 29.52
    1,2-dichlorobenzene 10.14
    ethyl lactate 18.4
    propylene carbonate 25.15
    n-methylformamide 113.79
    2-pentanol 100.52
    n-pentane 10.03
    1-propoxy-2-propanol 49.33
    1-methoxy-2-propyl acetate 20.36
    2-(2-methoxypropoxy) propanol 46.56
    mesitylene 3.97
    ε-caprolactone 31.34
    p-cymene 5.04
    epichlorohydrin 80.95
    1,1,1-trichloroethane 14.11
    2-aminoethanol 136.92
    morpholine-4-carbaldehyde 64.89
    sulfolane 73.84
    2,2,4-trimethylpentane 3.57
    2-methyltetrahydrofuran 89.38
    n-hexyl acetate 22.58
    isooctane 2.68
    2-(2-butoxyethoxy)ethanol 69.6
    sec-butyl acetate 12.82
    tert-butyl acetate 17.6
    decalin 2.1
    glycerin 83.03
    diglyme 90.76
    acrylic acid 50.17
    isopropyl myristate 12.69
    n-butyric acid 69.86
    acetyl acetate 10.16
    di(2-ethylhexyl) phthalate 14.94
    ethyl propionate 16.53
    nitromethane 65.52
    1,2-diethoxyethane 49.16
    benzonitrile 16.09
    trioctyl phosphate 11.42
    1-bromopropane 29.01
    gamma-valerolactone 66.83
    n-decanol 14.94
    triethyl phosphate 10.63
    4-methyl-2-pentanol 40.47
    propionitrile 38.1
    vinylene carbonate 22.62
    1,1,2-trichlorotrifluoroethane 48.02
    DMS 15.61
    cumene 5.15
    2-octanol 17.33
    2-hexanone 32.56
    octyl acetate 15.47
    limonene 7.77
    1,2-dimethoxyethane 93.37
    ethyl orthosilicate 11.39
    tributyl phosphate 12.83
    diacetone alcohol 39.28
    N,N-dimethylaniline 16.92
    acrylonitrile 37.04
    aniline 25.24
    1,3-propanediol 142.52
    bromobenzene 6.74
    dibromomethane 28.06
    1,1,2,2-tetrachloroethane 32.42
    2-methyl-cyclohexyl acetate 14.85
    tetrabutyl urea 17.98
    diisobutyl methanol 13.5
    2-phenylethanol 20.75
    styrene 5.5
    dioctyl adipate 17.48
    dimethyl sulfate 23.37
    ethyl butyrate 14.52
    methyl lactate 31.02
    butyl lactate 22.03
    diethyl carbonate 10.29
    propanediol butyl ether 43.26
    triethyl orthoformate 13.69
    p-tert-butyltoluene 4.96
    methyl 4-tert-butylbenzoate 24.03
    morpholine 75.46
    tert-butylamine 52.38
    n-dodecanol 12.18
    dimethoxymethane 99.67
    ethylene carbonate 17.44
    cyrene 38.11
    2-ethoxyethyl acetate 28.81
    2-ethylhexyl acetate 11.21
    1,2,4-trichlorobenzene 12.04
    4-methylpyridine 28.01
    dibutyl ether 23.06
    2,6-dimethyl-4-heptanol 13.5
    DEF 50.63
    dimethyl isosorbide 53.57
    tetrachloroethylene 27.53
    eugenol 32.56
    triacetin 23.12
    span 80 33.54
    1,4-butanediol 82.55
    1,1-dichloroethane 22.28
    2-methyl-1-pentanol 91.05
    methyl formate 47.94
    2-methyl-1-butanol 118.16
    n-decane 2.76
    butyronitrile 46.0
    3,7-dimethyl-1-octanol 20.39
    1-chlorooctane 8.86
    1-chlorotetradecane 4.28
    n-nonane 2.56
    undecane 2.1
    tert-butylcyclohexane 2.69
    cyclooctane 1.24
    cyclopentanol 83.76
    tetrahydropyran 54.87
    tert-amyl methyl ether 37.89
    2,5,8-trioxanonane 74.65
    1-hexene 31.81
    2-isopropoxyethanol 83.97
    2,2,2-trifluoroethanol 28.76
    methyl butyrate 21.8

    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