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· · COA & SDS available for every product · Same-day shipping on in-stock items (3S)-6-fluoro-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid - ≥97% , CAS No.1161833-81-3
Synonyms
(3S)-6-Fluoro-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid | (S)-6-Fluoro-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid | AT18811 | MFCD21342074 | EN300-8640347 | DTXSID301178968 | starbld0041891 | SCHEMBL16888913 | (3S)-6-fluoro-1,2,3,4-tetrahydro
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Why this grade ≥97% 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 Synonyms
(3S)-6-Fluoro-1, 2, 3, 4-tetrahydro-3-isoquinolinecarboxylic acid | (S)-6-Fluoro-1, 2, 3, 4-tetrahydroisoquinoline-3-carboxylic acid | AT18811 | MFCD21342074 | EN300-8640347 | DTXSID301178968 | starbld0041891 | SCHEMBL16888913 | (3S)-6-fluoro-1, 2, 3, 4-tetrahydro
Specifications & Purity
≥97%
Names and Identifiers Canonical Smiles C1C(NCC2=C1C=C(C=C2)F)C(=O)O IUPAC Name (3S)-6-fluoro-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid InChIKey SRLSCFGRFIBSHD-VIFPVBQESA-N INCHI 1S/C10H10FNO2/c11-8-2-1-6-5-12-9(10(13)14)4-7(6)3-8/h1-3,9,12H,4-5H2,(H,13,14)/t9-/m0/s1 Isomeric SMILES C1[C@H](NCC2=C1C=C(C=C2)F)C(=O)O Alternate CAS 1161833-81-3 PubChem CID 46901773 Molecular Weight 195.19
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 Tetrahydroisoquinolines Subclass Not available Intermediate Tree Nodes Not available Direct Parent Tetrahydroisoquinolines Alternative Parents L-alpha-amino acids Aralkylamines Benzenoids Aryl fluorides Amino acids Monocarboxylic acids and derivatives Dialkylamines Carboxylic acids Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Molecular Framework Aromatic heteropolycyclic compounds Substituents Alpha-amino acid - Alpha-amino acid or derivatives - Tetrahydroisoquinoline - L-alpha-amino acid - Aralkylamine - Aryl fluoride - Aryl halide - Benzenoid - Amino acid - Amino acid or derivatives - Azacycle - Secondary amine - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organohalogen compound - Organofluoride - Organonitrogen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organic oxide - Amine - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as tetrahydroisoquinolines. These are tetrahydrogenated isoquinoline derivatives. 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 Molecular Weight 195.190 g/mol XLogP3 -1.200 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 1 Exact Mass 195.07 Da Monoisotopic Mass 195.07 Da Topological Polar Surface Area 49.300 Ų Heavy Atom Count 14 Formal Charge 0 Complexity 234.000 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
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