![1-[4-(Trifluoromethyl)benzoyl]piperidine-4-carboxylic acid - ≥95% CAS No(856215-36-6) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/T/1/T1044424.jpg)
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1-[4-(Trifluoromethyl)benzoyl]piperidine-4-carboxylic acid - ≥95% , CAS No.856215-36-6
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GRADE & PURITY ≥95%
Storage
Room temperature
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Why this grade
≥95% 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.
Literature proof
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications
Specifications & Purity
≥95%
Storage
Room temperature
Purity
≥95%
Names and Identifiers
| Canonical Smiles | C1CN(CCC1C(=O)O)C(=O)C2=CC=C(C=C2)C(F)(F)F |
|---|---|
| IUPAC Name | 1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxylic acid |
| InChIKey | KWFBUWDESLAMET-UHFFFAOYSA-N |
| INCHI | 1S/C14H14F3NO3/c15-14(16,17)11-3-1-9(2-4-11)12(19)18-7-5-10(6-8-18)13(20)21/h1-4,10H,5-8H2,(H,20,21) |
| Isomeric SMILES | C1CN(CCC1C(=O)O)C(=O)C2=CC=C(C=C2)C(F)(F)F |
| Alternate CAS | 856215-36-6 |
| PubChem CID | 16227609 |
| Molecular Weight | 301.26 |
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 →🔬 Specification Sheet
Full quality attributes and acceptance criteria for this grade.
View spec sheet →Advanced Data
3D Structure
Interactive Chemical Structure Model
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
| Molecular Weight | 301.260 g/mol |
|---|---|
| XLogP3 | 2.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 2 |
| Exact Mass | 301.093 Da |
| Monoisotopic Mass | 301.093 Da |
| Topological Polar Surface Area | 57.600 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 395.000 |
| 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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