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· · COA & SDS available for every product · Same-day shipping on in-stock items tert-Butyl 3-oxo-4-(2-oxo-2-(4-(trifluoromethyl)phenyl)ethyl)-1,4-diazepane-1-carboxylate - ≥95% , CAS No.1998216-12-8 🧪
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 Specifications & Purity
≥95%
Names and Identifiers Canonical Smiles CC(C)(C)OC(=O)N1CCCN(C(=O)C1)CC(=O)C2=CC=C(C=C2)C(F)(F)F IUPAC Name tert-butyl 3-oxo-4-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]-1,4-diazepane-1-carboxylate InChIKey PQMIJJNQRXSNNK-UHFFFAOYSA-N INCHI 1S/C19H23F3N2O4/c1-18(2,3)28-17(27)24-10-4-9-23(16(26)12-24)11-15(25)13-5-7-14(8-6-13)19(20,21)22/h5-8H,4,9-12H2,1-3H3 PubChem CID 122198521 Molecular Weight 400.4
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 3D Structure Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 400.400 g/mol XLogP3 3.100 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 7 Rotatable Bond Count 5 Exact Mass 400.161 Da Monoisotopic Mass 400.161 Da Topological Polar Surface Area 66.900 Ų Heavy Atom Count 28 Formal Charge 0 Complexity 593.000 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
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