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4,5,6,7-Tetrachloro-2-trifluoromethylbenzimidazole , CAS No.2338-29-6

4,5,6,7-Tetrachloro-2-trifluoromethylbenzimidazole , CAS No.2338-29-6

Name: 4,5,6,7-Tetrachloro-2-trifluoromethylbenzimidazole , CAS No.2338-29-6
Brand: Aladdin Scientific
SKU: T1006294
Availability: InStock

CAS: 2338-29-6 Cat. No.: T1006294 PubChem CID: 75357

COA

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AVAILABLE TO ORDER

Storage

Room temperature

Specifications Names and Identifiers Documentation Advanced Data Taxonomic Classification 3D Structure Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solution Calculators Reviews

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Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

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

📋

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

Storage

Room temperature

Names and Identifiers

Canonical Smiles	C12=C(C(=C(C(=C1Cl)Cl)Cl)Cl)N=C(N2)C(F)(F)F
IUPAC Name	4,5,6,7-tetrachloro-2-(trifluoromethyl)-1H-benzimidazole
InChIKey	QLKDMIUEWFNEPV-UHFFFAOYSA-N
INCHI	1S/C8HCl4F3N2/c9-1-2(10)4(12)6-5(3(1)11)16-7(17-6)8(13,14)15/h(H,16,17)
Isomeric SMILES	C12=C(C(=C(C(=C1Cl)Cl)Cl)Cl)N=C(N2)C(F)(F)F
Alternate CAS	2338-29-6
PubChem CID	75357
MeSH Entry Terms	4,5,6,7-tetrachloro-2-trifluoromethylbenzimidazole;4,5,6,7-TTB;tetrachlorotrifluoromethylbenzimidazole;TTFB-4,5,6,7

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.

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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.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Benzimidazoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Benzimidazoles
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Benzimidazoles
Alternative Parents	Benzenoids Aryl chlorides Imidazoles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Organochlorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Benzimidazole - Aryl chloride - Aryl halide - Benzenoid - Azole - Heteroaromatic compound - Imidazole - Azacycle - Organochloride - Organohalogen compound - Organonitrogen compound - Alkyl fluoride - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Alkyl halide - Organofluoride - Aromatic heteropolycyclic compound
Description	This 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	organochlorine compound
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 Structure

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	323.900 g/mol
XLogP3	4.400
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	323.882 Da
Monoisotopic Mass	321.885 Da
Topological Polar Surface Area	28.700 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	303.000
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

Solution Calculators

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Reviews

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