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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 EG-Nummer: 250-637-5 PubChem CID: 35803

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Specifications Namen und Kennungen Documentation Advanced Data Taxonomic Classification 3D-Struktur Zertifikate (CoA, COO, BSE/TSE und Analyse-Diagramm) Chemische und physikalische Eigenschaften Lösungsrechner Bewertungen

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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

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Namen und Kennungen

Kanonisches Lächeln	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)
Isomere SMILES	COC(=O)NC1=NC2=C(N1)C=C(C=C2)C(=O)C3CC3
Alternative CAS-Nummer	31431-43-3
PubChem CID	35803
NSC-Nummer	335307
MeSH-Eintrag	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
  - Klasse Benzimidazoles
    - Subclass 2-benzimidazolylcarbamic acid esters

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Klasse	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
Beschreibung	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

3D-Struktur

Zertifikate (CoA, COO, BSE/TSE und Analyse-Diagramm)

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

Analytical Chart:

Chemische und physikalische Eigenschaften

Molekulargewicht	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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