Parbendazole Chemical Properties

Melting point:

255-257°C

Boiling point:

390.33°C (rough estimate)

Density 

1.1214 (rough estimate)

refractive index 

1.5700 (estimate)

storage temp. 

Keep in dark place,Sealed in dry,2-8°C

solubility 

DMSO (Slightly, Heated), Methanol (Slightly, Heated)

form 

Solid

pka

11.66±0.10(Predicted)

color 

White to Off-White

Water Solubility 

<0.1 g/100 mL at 18 ºC

Stability:

Stable. Incompatible with strong oxidizing agents.

InChI

InChI=1S/C13H17N3O2/c1-3-4-5-9-6-7-10-11(8-9)15-12(14-10)16-13(17)18-2/h6-8H,3-5H2,1-2H3,(H2,14,15,16,17)

InChIKey

YRWLZFXJFBZBEY-UHFFFAOYSA-N

SMILES

C(OC)(=O)NC1NC2=CC(CCCC)=CC=C2N=1

EPA Substance Registry System

Parbendazole (14255-87-9)

Safety Information

Hazard Codes 

Xn

Risk Statements 

63-22

Safety Statements 

36/37

WGK Germany 

3

RTECS 

DD6495000

HS Code 

2933997500

Toxicity

LD50 in mice, rats (g/kg): >4 orally, both species (Actor)

MSDS

• Language:English Provider:5-Butyl-2-benzimidazolecarbamic acid methyl ester

Parbendazole Usage And Synthesis

Chemical Properties

solid

Uses

Antiparasitic

Uses

Parbendazole is a benzimidazole carbamate and a potent inhibitor of microtubule assembly and functions.

Definition

ChEBI: N-(6-butyl-1H-benzimidazol-2-yl)carbamic acid methyl ester is a carbamate ester and a member of benzimidazoles.

General Description

Crystals or fine white powder.

Air & Water Reactions

Insoluble in water.

Reactivity Profile

Parbendazole is a carbamate ester-amine. Amines behave as chemical bases. Carbamates are chemically similar to, but more reactive than amides. Like amides they form polymers such as polyurethane resins. Carbamates are incompatible with strong acids and bases, and especially incompatible with strong reducing agents such as hydrides. Flammable gaseous hydrogen is produced by the combination of active metals or nitrides with carbamates. Strongly oxidizing acids, peroxides, and hydroperoxides are incompatible with carbamates.

Health Hazard

ACUTE/CHRONIC HAZARDS: When heated to decomposition Parbendazole emits toxic fumes.

Fire Hazard

Flash point data for Parbendazole are not available; however, Parbendazole is probably combustible.

Synthesis

Including acetylation, nitration, hydrolysis, reduction, ring-forming five reaction steps, p-n-butyl aniline as raw material, first acetylation with acetic anhydride, and then nitration with nitric acid, the product was poured into the ice-water mixture, precipitated solids, pumping filtration, the filter cake washed with water to neutral, drying to get 4-n-butyl-2-nitro acetanilide; and then the dried product was hydrolyzed with potassium hydroxide solution, then adjusted the pH to 6-7 by using 4mol/L~5mol / L hydrochloric acid to adjust the pH to 6 ~ 7, and then concentrated under reduced pressure, the residue will be extracted with ether, collect the organic phase, concentrate to get 4-n-butyl-2-nitroaniline; will be produced 4-n-butyl-2-nitroaniline methanol as a solvent, add palladium carbon as a catalyst, filtration, filtrate concentration to get 4-n-butyl-o-phenylenediamine, and then methanol as a solvent, acetic acid as an amine salt-forming agent, and methyl cyanocarbamate as a ring-closing agent. Then methanol was used as solvent, acetic acid as amine salting agent and methyl cyanocarbamate as ring-closing agent to produce 5-n-butyl-2-benzimidazolecarbamic acid methyl ester (Parbendazole).

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