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Ciclobendazole , CAS No.31431-43-3

Ciclobendazole , CAS No.31431-43-3

Name: Ciclobendazole , CAS No.31431-43-3
SKU: C1362862
Availability: InStock

CAS: 31431-43-3 Cat. No.: C1362862 Número CE: 250-637-5 PubChem CID: 35803

COA

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Specifications Nomes e identificadores Documentation Advanced Data Taxonomic Classification Estrutura 3D Certificados（CoA,COO,BSE/TSE e Mapa de Análise) Propriedades químicas e físicas Calculadoras de soluções Revisões

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Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Normal Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Condições de armazenamento de armazenamento

Room temperature

Enviado em

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Nomes e identificadores

Sorrisos canónicos	COC(=O)NC1=NC2=C(N1)C=C(C=C2)C(=O)C3CC3
IUPAC Name	methyl N-[6-(cyclopropanecarbonyl)-1H-benzimidazol-2-yl]carbamate
InChIKey	OXLKOMYHDYVIDM-UHFFFAOYSA-N
INCHI	1S/C13H13N3O3/c1-19-13(18)16-12-14-9-5-4-8(6-10(9)15-12)11(17)7-2-3-7/h4-7H,2-3H2,1H3,(H2,14,15,16,18)
SMILES isoméricas	COC(=O)NC1=NC2=C(N1)C=C(C=C2)C(=O)C3CC3
CAS alternativo	31431-43-3
PubChem CID	35803
Número NSC	335307
Termos de entrada MeSH	ciclobendazole;methyl 5-cyclopropylcarbonyl-2-benzimidazolecarbamate

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

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✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Classe Benzimidazoles
    - Subclass 2-benzimidazolylcarbamic acid esters

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Classe	Benzimidazoles
Subclass	2-benzimidazolylcarbamic acid esters
Intermediate Tree Nodes	Not available
Direct Parent	2-benzimidazolylcarbamic acid esters
Alternative Parents	Aryl alkyl ketones Benzenoids Imidazoles Heteroaromatic compounds Carbamate esters Organic carbonic acids and derivatives Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	2-benzimidazolylcarbamic acid ester - Aryl ketone - Aryl alkyl ketone - Benzenoid - Azole - Imidazole - Carbamic acid ester - Heteroaromatic compound - Ketone - Carbonic acid derivative - Azacycle - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Descrição	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
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Estrutura 3D

Certificados（CoA,COO,BSE/TSE e Mapa de Análise)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Propriedades químicas e físicas

Peso molecular	259.260 g/mol
XLogP3	1.600
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	259.096 Da
Monoisotopic Mass	259.096 Da
Topological Polar Surface Area	84.100 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	383.000
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

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