The store will not work correctly when cookies are disabled.
JavaScript seems to be disabled in your browser. For the best experience on our site, be sure to turn on Javascript in your browser.
· · COA & SDS available for every product · Same-day shipping on in-stock items Methyl 4-(Trifluoromethyl)-1-Benzothiophene-2-Carboxylate - ≥98% , CAS No.146137-87-3
Synonyms
A808459 | DTXSID70594800 | GA-0940 | J-522263 | METHYL4-(TRIFLUOROMETHYL)-1-BENZOTHIOPHENE-2-CARBOXYLATE | Benzo[b]thiophene-2-carboxylic acid, 4-(trifluoromethyl)-, methyl ester | MFCD09027107 | SY229499 | methyl 4-(trifluoromethyl)benzothiophene-2-carbo
Storage
Store at 2-8°C,Protected from light
🧪
Why this grade ≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
🌡
Storage & shipping Store at 2-8°C,Protected from light Ships Wet ice 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.
📚
Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Synonyms
A808459 | DTXSID70594800 | GA-0940 | J-522263 | METHYL4-(TRIFLUOROMETHYL)-1-BENZOTHIOPHENE-2-CARBOXYLATE | Benzo[b]thiophene-2-carboxylic acid, 4-(trifluoromethyl)-, methyl ester | MFCD09027107 | SY229499 | methyl 4-(trifluoromethyl)benzothiophene-2-carbo
Specifications & Purity
≥98%
Storage
Store at 2-8°C, Protected from light
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Names and Identifiers Pubchem Sid 488199632 Canonical Smiles COC(=O)C1=CC2=C(C=CC=C2S1)C(F)(F)F IUPAC Name methyl 4-(trifluoromethyl)-1-benzothiophene-2-carboxylate InChIKey YIBQKUYCGBJTHR-UHFFFAOYSA-N INCHI 1S/C11H7F3O2S/c1-16-10(15)9-5-6-7(11(12,13)14)3-2-4-8(6)17-9/h2-5H,1H3 Isomeric SMILES COC(=O)C1=CC2=C(C=CC=C2S1)C(F)(F)F Molecular Weight 260.23 Reaxy-Rn 5819238 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5819238&ln=
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 Kingdom Organic compounds Superclass Organoheterocyclic compounds Class Benzothiophenes Subclass 1-benzothiophenes Intermediate Tree Nodes Not available Direct Parent 1-benzothiophenes Alternative Parents Thiophene carboxylic acids and derivatives 2,3,5-trisubstituted thiophenes Benzenoids Methyl esters Heteroaromatic compounds Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides Molecular Framework Aromatic heteropolycyclic compounds Substituents 1-benzothiophene - Thiophene carboxylic acid or derivatives - 2,3,5-trisubstituted thiophene - Benzenoid - Thiophene - Methyl ester - Heteroaromatic compound - Carboxylic acid ester - Carboxylic acid derivative - Alkyl halide - Alkyl fluoride - Organic oxygen compound - Organooxygen compound - Organofluoride - Organohalogen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as 1-benzothiophenes. These are aromatic heterocyclic compound containing the Benzo[b]thiophene ring system. External Descriptors Not available Data sources 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.
3D Structure Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Sensitivity Light sensitive Molecular Weight 260.230 g/mol XLogP3 4.000 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 6 Rotatable Bond Count 2 Exact Mass 260.012 Da Monoisotopic Mass 260.012 Da Topological Polar Surface Area 54.500 Ų Heavy Atom Count 17 Formal Charge 0 Complexity 306.000 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 Molarity Calculator Determine the necessary mass, volume, or concentration for preparing a solution.
Dilution Calculator Determine the dilution needed to prepare a stock solution.
Reconstitution Calculator Reviews
We use cookies to ensure the website functions properly and, where permitted, to improve your experience. You can manage your preferences at any time in Settings. Learn more in our
Cookie Policy. Settings Agree All Decline
Shall we send you a message when we have discounts available?
Remind me later Allow
Thank you! Please check your email inbox to confirm.
Oops! Notifications are disabled.
Products are supplied to verified businesses, institutions, and qualified professionals for research and development use only. Not for use in humans, animals, diagnosis, or therapy.
Copyright © 2023–present Aladdin Scientific Corp. All rights reserved.
D23211015