2-(trifluoromethyl)-1H-benzimidazole-4-carboxylic acid - ≥95% , CAS No.6866-57-5

CAS: 6866-57-5 Cat. No.: H698631 Número EC: 977-459-7 PubChem CID: 654080
Disponible para pedir
GRADE & PURITY ≥95%
Storage
Room temperature
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Size
Estado
Price
Qty
1g
H698631-1g
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558,90US$

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Why this grade

≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships 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

Especificaciones y pureza
≥95%
Condiciones de almacenamiento de almacenamiento
Room temperature
Pureza
≥95%
Nombres e identificadores
Sonrisas canónicasC1=CC(=C2C(=C1)NC(=N2)C(F)(F)F)C(=O)O
IUPAC Name2-(trifluoromethyl)-1H-benzimidazole-4-carboxylic acid
InChIKeyHYGKNIWVMZCKJL-UHFFFAOYSA-N
INCHI1S/C9H5F3N2O2/c10-9(11,12)8-13-5-3-1-2-4(7(15)16)6(5)14-8/h1-3H,(H,13,14)(H,15,16)
Isómeros SMILES C1=CC(=C2C(=C1)NC(=N2)C(F)(F)F)C(=O)O
CAS alternativo 6866-57-5
PubChem CID 654080

Documentation

📋 Safety Data Sheet (SDS)

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

Download SDS →

✅ Certificate of Analysis (COA)

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

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClaseBenzimidazoles
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentBenzimidazoles
Alternative Parents Benzenoids  Imidazoles  Heteroaromatic compounds  Monocarboxylic acids and derivatives  Carboxylic acids  Azacyclic compounds  Organopnictogen compounds  Organooxygen compounds  Organonitrogen compounds  Organofluorides  Organic oxides  Hydrocarbon derivatives  Alkyl fluorides  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Benzimidazole - Benzenoid - Azole - Imidazole - Heteroaromatic compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organonitrogen compound - Organofluoride - Organohalogen compound - Organopnictogen compound - Alkyl halide - Alkyl fluoride - Organic oxygen compound - Organooxygen compound - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
DescripciónThis compound belongs to the class of organic compounds known as benzimidazoles. These are organic compounds containing a benzene ring fused to an imidazole ring (five member ring containing a nitrogen atom, 4 carbon atoms, and two double bonds).
External Descriptors Not available
Estructura 3D
Modelo de Estructura Química Interactiva





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Mecanismos de acción
Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propiedades químicas y físicas
Peso molecular230.140 g/mol
XLogP31.800
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Exact Mass230.03 Da
Monoisotopic Mass230.03 Da
Topological Polar Surface Area66.000 Ų
Heavy Atom Count16
Formal Charge0
Complexity295.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Calculadoras de soluciones
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