≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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.
| Canonical Smiles | CC(C1=CC=CC=C1C(F)(F)F)OC2=C(SC(=C2)N3C=NC4=C3C=C(C=C4)CCl)C(=O)OC |
|---|---|
| IUPAC Name | methyl 5-[6-(chloromethyl)benzimidazol-1-yl]-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxylate |
| InChIKey | BXRDGJYSXNXZCP-CYBMUJFWSA-N |
| INCHI | 1S/C23H18ClF3N2O3S/c1-13(15-5-3-4-6-16(15)23(25,26)27)32-19-10-20(33-21(19)22(30)31-2)29-12-28-17-8-7-14(11-24)9-18(17)29/h3-10,12-13H,11H2,1-2H3/t13-/m1/s1 |
| Isomeric SMILES | C[C@H](C1=CC=CC=C1C(F)(F)F)OC2=C(SC(=C2)N3C=NC4=C3C=C(C=C4)CCl)C(=O)OC |
| PubChem CID | 57848982 |
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 | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Trifluoromethylbenzenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Trifluoromethylbenzenes |
| Alternative Parents | Benzimidazoles Thiophene carboxylic acids and derivatives 2,3,5-trisubstituted thiophenes Alkyl aryl ethers N-substituted imidazoles Methyl esters Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives Alkyl fluorides Alkyl chlorides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Trifluoromethylbenzene - Benzimidazole - 2,3,5-trisubstituted thiophene - Thiophene carboxylic acid or derivatives - Alkyl aryl ether - N-substituted imidazole - Azole - Heteroaromatic compound - Imidazole - Methyl ester - Thiophene - Carboxylic acid ester - Carboxylic acid derivative - Ether - Azacycle - Organoheterocyclic compound - Organohalogen compound - Alkyl halide - Alkyl fluoride - Alkyl chloride - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl groups. |
| External Descriptors | Not available |
| Molecular Weight | 494.900 g/mol |
|---|---|
| XLogP3 | 6.400 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 7 |
| Exact Mass | 494.068 Da |
| Monoisotopic Mass | 494.068 Da |
| Topological Polar Surface Area | 81.600 Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 688.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| 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 |
![(R)-methyl 5-(6-(chloromethyl)-1H-benzo[d]imidazol-1-yl)-3-(1-(2-(trifluoromethyl)phenyl)ethoxy)thiophene-2-carboxylate - ≥98% , CAS No.929095-40-9](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)