Determine the necessary mass, volume, or concentration for preparing a solution.
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≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Application:
Methyl [5(6)-chlorobenzimidazole-2-yl]carbamate is an impurity for Fenbendazole (F246750), an anthelmintic (Nematodes). (Albendazole Impurity H)
| Pubchem Sid | 504765364 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504765364 |
| Sonrisas canónicas | COC(=O)NC1=NC2=C(N1)C=C(C=C2)Cl |
| IUPAC Name | methyl N-(6-chloro-1H-benzimidazol-2-yl)carbamate |
| InChIKey | VLEJNRYXCWJNPA-UHFFFAOYSA-N |
| INCHI | 1S/C9H8ClN3O2/c1-15-9(14)13-8-11-6-3-2-5(10)4-7(6)12-8/h2-4H,1H3,(H2,11,12,13,14) |
| Isómeros SMILES | COC(=O)NC1=NC2=C(N1)C=C(C=C2)Cl |
| Peso molecular | 225.63 |
| Reaxy-Rn | 917084 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=917084&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Benzimidazoles |
| Subclass | 2-benzimidazolylcarbamic acid esters |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 2-benzimidazolylcarbamic acid esters |
| Alternative Parents | Benzenoids Aryl chlorides Imidazoles Heteroaromatic compounds Carbamate esters Azacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 2-benzimidazolylcarbamic acid ester - Aryl chloride - Aryl halide - Benzenoid - Azole - Imidazole - Heteroaromatic compound - Carbamic acid ester - Azacycle - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as 2-benzimidazolylcarbamic acid esters. These are aromatic heteropolycyclic compounds that contain a carbamic acid ester group, which is N-linked to the C2-atom of a benzimidazole moiety. |
| External Descriptors | Not available |
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| Solubilidad | DMSO (Slightly) |
|---|---|
| Peso molecular | 225.630 g/mol |
| XLogP3 | 2.100 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 225.031 Da |
| Monoisotopic Mass | 225.031 Da |
| Topological Polar Surface Area | 67.000 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 252.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |