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(E)-3-(2-(trifluoromethoxy)phenyl)acrylic acid - ≥95% , CAS No.399580-48-4
AVAILABLE TO ORDER
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 | C1=CC=C(C(=C1)C=CC(=O)O)OC(F)(F)F |
|---|---|
| IUPAC Name | (E)-3-[2-(trifluoromethoxy)phenyl]prop-2-enoic acid |
| InChIKey | RTCUAUKXVCMIBS-AATRIKPKSA-N |
| INCHI | 1S/C10H7F3O3/c11-10(12,13)16-8-4-2-1-3-7(8)5-6-9(14)15/h1-6H,(H,14,15)/b6-5+ |
| Isomeric SMILES | C1=CC=C(C(=C1)/C=C/C(=O)O)OC(F)(F)F |
| Alternate CAS | 399579-92-1 |
| PubChem CID | 16228029 |
| Molecular Weight | 232.16 |
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 | 232.160 g/mol |
|---|---|
| XLogP3 | 3.000 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 232.035 Da |
| Monoisotopic Mass | 232.035 Da |
| Topological Polar Surface Area | 46.500 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 273.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 1 |
| Covalently-Bonded Unit Count | 1 |
Solution Calculators
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