What Is Benzimidazole?

Benzimidazole is a chemical substance with a molecular formula of C7H6N2. Benzimidazole is a flaky crystal, mp170 ° C, soluble in water and ethanol. Benzimidazole can be used in the preparation of the intermediates imidazole, such as bactericidal imazalil and prochloraz.

Chinese name
Benzimidazole
English name
Benzimidazole
Chinese alias
M-Diazindene; benzodiazole
English alias
Benzimidazol
CAS number
51-17-2
EINECS number
200-081-4
Molecular formula
C 7 H 6 N 2
Molecular weight
118.14
InChI
InChI = 1 / C7H6N2 / c1-2-4-7-6 (3-1) 8-5-9-7 / h1-5H, (H, 8,9)
Melting point
171-174
Boiling point
360
Water-melt
sparingly soluble
Physical and chemical properties
Colorless crystals. 170 ° C melting point. The boiling point is above 360 ° C. Almost insoluble in benzene and petroleum ether, slightly soluble in cold water, ether, slightly soluble in hot water, easily soluble in ethanol, acid solution, and strong alkali solution.
use
For the synthesis of vitamin B12 and other drugs and the preparation of high-molecular compounds
Safety term
pesticide
Toxicity grade poisoning
Acute toxicity oral-rat LD50: 500 mg / kg; oral-mouse LD50: 2910 mg / kg
Flammability Hazardous characteristics Combustible; Combustion produces toxic nitrogen oxide fumes
Storage and transportation characteristics
Fire extinguisher dry powder, foam, sand, carbon dioxide, mist water [2]
Dangerous Goods Sign Xi
Danger category code 36/37/38
Safety instructions 37 / 39-26
WGK Germany 3
RTECS number DD5425000
Hazard Note Irritant
Customs code 29339990
51-17-2 (Hazardous Substances Data) [2]
Downstream products
Imidazole-> Thibenzimidazole-> Domperidone-> Imidazole-4,5-dicarboxylic acid-> Oxamit-> Omeprazole-> Pigment Red 175-> 2-[[ 3-[[(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl) amino] formyl] -2-hydroxy-1-naphthalene] azo] benzoate-- > 2-Acetylbenzimidazole
Upstream raw materials
1,2-phenylenediamine [2]
CAS number: 51-17-2
MDL number: MFCD00005585
EINECS number: 200-081-4
RTECS number: DD5425000
BRN number: 109682
PubChem number: 24847491 [3]
Properties: White orthorhombic or monoclinic crystal. Has better chemical stability.
Density (g / mL, 25/4 ): Not determined
Relative vapor density (g / mL, air = 1): Not determined
Melting point (° C): 170.5
Boiling point (° C, normal pressure):> 360
Boiling point (° C, 5.2kPa): Not determined
Refractive index: Not determined
Flash point (° C): Not determined
Specific rotation (o): Not determined
Spontaneous ignition point or ignition temperature (° C): Not determined
Vapor pressure (kPa, 25 ° C): Not determined
Saturated vapor pressure (kPa, 60 ): not determined
Combustion heat (KJ / mol): Not determined
Critical temperature (° C): Not determined
Critical pressure (KPa): Not determined
Oil and water
Acute toxicity: Rat oral LDLo: 500mg / kg; rat abdominal LD50: 385mg / kg; mouse oral LD50: 2910mg / kg; mouse abdominal LD50: 445mg / kg;
Mouse vein LD50: 280mg / kg
Mutagenicity: Mutant microorganismsTEST system: Bacteria-Salmonella typhimurium: 250ug / plate;
Mutated microorganismsTEST system: bacteria-E. Coli: 1mg / disc;
DNA damageTEST system: bacteria-E. Coli: 15mmol / L / 48H; phage inhibition capacityTEST system: bacteria-E. Coli: 1gm / L [3]
Molar refractive index: 36.61
Molar volume (m3 / mol): 95.0
Isometric Zhang Rong (90.2K): 264.8
Surface tension (dyne / cm): 60.1
Polarizability (10-24cm3): 14.51 [3]
Hydrophobic parameter calculation reference value (XlogP): 1.3
Number of hydrogen-bonded donors: 1
Number of hydrogen bond acceptors: 1
Number of rotatable chemical bonds: 0
Number of tautomers:
Topological molecular polar surface area (TPSA): 28.7
Number of heavy atoms: 9
Surface charge: 0
Complexity: 103
Number of isotope atoms: 0
Determine the number of atomic stereocenters: 0
Uncertain number of atomic stereocenters: 0
Determine the number of chemical bond stereocenters: 0
Uncertain number of chemical bond stereocenters: 0
Number of covalent bond units: 1 [3]
This product should be sealed and stored in a cool and dry place. 25kg bag or drum, lined with plastic bag. [3]
Derived from o-phenylenediamine and formic acid through cyclization. The mixture of o-phenylenediamine and formic acid was heated on a water bath for 2 h, cooled, and the pH was adjusted to 10 with a 10% sodium hydroxide solution. The precipitated solid was filtered off and washed with cold water to obtain a crude product. The crude product was slightly boiled with water, decolorized by adding activated carbon, and filtered while hot. The filtrate was cooled to room temperature, filtered, washed with cold water, and dried at 100 ° C to obtain a finished product. Crude yield was 90%.
The median lethal dose (mouse, oral) was 2190 mg / kg. [3]
Reagent for testing cobalt. [3]
S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
After accidental contact with eyes, rinse immediately with plenty of water and seek medical advice.
S37 / 39 Wear suitable gloves and eye / face protection
Wear appropriate gloves and goggles or a mask. [4]
R36 / 37/38 Irritating to eyes, respiratory system and skin.
Irritation of eyes, respiratory system and skin. [4]

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