≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Flocoumafen is an anticoagulant of the 4-hydroxycoumarin vitamin K antagonist type. It is a second generation (i.e., high potency) chemical in this class, used commercially as a rodenticide.
| Pubchem Sid | 504771382 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504771382 |
| Canonical Smiles | C1C(CC2=CC=CC=C2C1C3=C(C4=CC=CC=C4OC3=O)O)C5=CC=C(C=C5)OCC6=CC=C(C=C6)C(F)(F)F |
| IUPAC Name | 4-hydroxy-3-[3-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]chromen-2-one |
| InChIKey | KKBGNYHHEIAGOH-UHFFFAOYSA-N |
| INCHI | 1S/C33H25F3O4/c34-33(35,36)24-13-9-20(10-14-24)19-39-25-15-11-21(12-16-25)23-17-22-5-1-2-6-26(22)28(18-23)30-31(37)27-7-3-4-8-29(27)40-32(30)38/h1-16,23,28,37H,17-19H2 |
| Isomeric SMILES | C1C(CC2=CC=CC=C2C1C3=C(C4=CC=CC=C4OC3=O)O)C5=CC=C(C=C5)OCC6=CC=C(C=C6)C(F)(F)F |
| UN Number | 2811 |
| Packing Group | I |
| Molecular Weight | 542.54 |
| Reaxy-Rn | 8369565 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8369565&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Naphthalenes |
| Subclass | Phenylnaphthalenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylnaphthalenes |
| Alternative Parents | 4-hydroxycoumarins 1-benzopyrans Trifluoromethylbenzenes Tetralins Phenoxy compounds Phenol ethers Pyranones and derivatives Alkyl aryl ethers Vinylogous acids Heteroaromatic compounds Lactones Oxacyclic compounds Hydrocarbon derivatives Alkyl fluorides Organofluorides Organic oxides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phenylnaphthalene - 4-hydroxycoumarin - Hydroxycoumarin - Coumarin - Benzopyran - Trifluoromethylbenzene - Tetralin - 1-benzopyran - Phenoxy compound - Phenol ether - Pyranone - Alkyl aryl ether - Pyran - Monocyclic benzene moiety - Heteroaromatic compound - Vinylogous acid - Lactone - Oxacycle - Organoheterocyclic compound - Ether - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Alkyl halide - Alkyl fluoride - Organofluoride - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylnaphthalenes. These are compounds containing a phenylnaphthalene skeleton, which consists of a naphthalene bound to a phenyl group. |
| External Descriptors | Coumarin rodenticides |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 B2521055 | Certificate of Analysis | Jul 11, 2022 | F331350 |
| J2513092 | Certificate of Analysis | Jul 11, 2022 | F331350 |
| K2214387 | Certificate of Analysis | Jul 11, 2022 | F331350 |
| K2214388 | Certificate of Analysis | Jul 11, 2022 | F331350 |
| K2214389 | Certificate of Analysis | Jul 11, 2022 | F331350 |
| Melt Point(°C) | 181-191° C |
|---|---|
| Molecular Weight | 542.500 g/mol |
| XLogP3 | 7.700 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 5 |
| Exact Mass | 542.17 Da |
| Monoisotopic Mass | 542.17 Da |
| Topological Polar Surface Area | 55.800 Ų |
| Heavy Atom Count | 40 |
| Formal Charge | 0 |
| Complexity | 915.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
