ChemicalBook--->CAS DataBase List--->14255-87-9

14255-87-9

14255-87-9 Structure

14255-87-9 Structure
IdentificationBack Directory
[Name]

Parbendazole
[CAS]

14255-87-9
[Synonyms]

pbdz
skf29044
verminum
helmatac
PARBENDAZOLE
Parbendazole (200 mg)
methyl5-butyl-2-benzimidazolecarbamate
5-butyl-2-(carbomethoxyamino)benzimidazole
5-butyl-2-benzimidazolecarbamicacimethylester
Methyl(5-butyl-1H-benzimidazol-2-yl)carbamate
n-(butyl-5,benzimidazolyl)-2,carbamatedemethyle
methyl 5-butyl-1H-benzo[d]imidazol-2-ylcarbamate
5-butyl-2-benzimidazolecarbamic acid methyl ester
Methyl (6-butyl-1H-benzo[d]iMidazol-2-yl)carbaMate
(5-butyl-1h-benzimidazol-2-yl)-carbamicacimethylester
(4-butyl-1h-benzimidazol-2-yl)-carbamicacidmethylester
(5-Butyl-1H-benzimidazol-2-yl)carbamic acid methyl ester
Carbamic acid, (5-butyl-1H-benzimidazol-2-yl)-, methyl ester
CarbaMic acid, N-(6-butyl-1H-benziMidazol-2-yl)-, Methyl ester
[EINECS(EC#)]

238-133-3
[Molecular Formula]

C13H17N3O2
[MDL Number]

MFCD00864534
[MOL File]

14255-87-9.mol
[Molecular Weight]

247.29
Chemical PropertiesBack Directory
[Appearance]

solid
[Melting point ]

255-257°C
[Boiling point ]

390.33°C (rough estimate)
[density ]

1.1214 (rough estimate)
[refractive index ]

1.5700 (estimate)
[storage temp. ]

2-8°C
[solubility ]

DMSO (Slightly, Heated), Methanol (Slightly, Heated)
[form ]

neat
[pka]

11.66±0.10(Predicted)
[color ]

White to Off-White
[Stability:]

Stable. Incompatible with strong oxidizing agents.
[Water Solubility ]

<0.1 g/100 mL at 18 ºC
[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]

Carbamic acid, (5-butyl-1H-benzimidazol-2- yl)-, methyl ester(14255-87-9)
Hazard InformationBack Directory
[Chemical Properties]

solid
[Uses]

Antiparasitic
[Uses]

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

ChEBI: N-(6-butyl-1H-benzimidazol-2-yl)carbamic acid methyl ester is a carbamate ester and a member of benzimidazoles.
[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,
Safety DataBack Directory
[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)
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Parbendazole(14255-87-9).msds
Spectrum DetailBack Directory
[Spectrum Detail]

Parbendazole(14255-87-9)1HNMR
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