![5-Iodo-2-oxo-1-[4-(trifluoromethyl)benzyl]-1,2-dihydro-3-pyridinecarboxylic acid , CAS No.937604-36-9](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)
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5-Iodo-2-oxo-1-[4-(trifluoromethyl)benzyl]-1,2-dihydro-3-pyridinecarboxylic acid , CAS No.937604-36-9
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Storage
Room temperature
Shipped In
Normal
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Why this grade
for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Storage & shipping
Room temperature Ships Normal 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
Storage
Room temperature
Shipped In
Normal
Names and Identifiers
| Canonical Smiles | C1=CC(=CC=C1CN2C=C(C=C(C2=O)C(=O)O)I)C(F)(F)F |
|---|---|
| IUPAC Name | 5-iodo-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylic acid |
| InChIKey | ZGXXTAMVMJKHER-UHFFFAOYSA-N |
| INCHI | 1S/C14H9F3INO3/c15-14(16,17)9-3-1-8(2-4-9)6-19-7-10(18)5-11(12(19)20)13(21)22/h1-5,7H,6H2,(H,21,22) |
| Isomeric SMILES | C1=CC(=CC=C1CN2C=C(C=C(C2=O)C(=O)O)I)C(F)(F)F |
| PubChem CID | 18526275 |
| Molecular Weight | 423.13 |
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 | 423.120 g/mol |
|---|---|
| XLogP3 | 3.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 422.958 Da |
| Monoisotopic Mass | 422.958 Da |
| Topological Polar Surface Area | 57.600 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 534.000 |
| 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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