| Pubchem Sid | 488199668 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488199668 |
| Sonrisas canónicas | C1=CC(=C(C=C1OC(F)(F)F)Br)C#N |
| IUPAC Name | 2-bromo-4-(trifluoromethoxy)benzonitrile |
| InChIKey | KQXCJMGFMNVWGL-UHFFFAOYSA-N |
| INCHI | 1S/C8H3BrF3NO/c9-7-3-6(14-8(10,11)12)2-1-5(7)4-13/h1-3H |
| Isómeros SMILES | C1=CC(=C(C=C1OC(F)(F)F)Br)C#N |
| PubChem CID | 18782483 |
| Peso molecular | 266.01 |
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 |
| Clase | Phenol ethers |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenol ethers |
| Alternative Parents | Phenoxy compounds Benzonitriles Bromobenzenes Aryl bromides Trihalomethanes Nitriles Organooxygen compounds Organofluorides Organobromides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Phenoxy compound - Benzonitrile - Phenol ether - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Trihalomethane - Carbonitrile - Nitrile - Alkyl fluoride - Organobromide - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Halomethane - Cyanide - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Fecha | Articulo |
|---|---|---|---|
 E1526005 | Certificate of Analysis | Jun 15, 2026 | B134269 |
| D2318070 | Certificate of Analysis | Feb 06, 2025 | B134269 |
| D2318073 | Certificate of Analysis | Feb 06, 2025 | B134269 |
| D2318086 | Certificate of Analysis | Feb 06, 2025 | B134269 |
| D2318090 | Certificate of Analysis | Feb 06, 2025 | B134269 |
| D2318096 | Certificate of Analysis | Feb 06, 2025 | B134269 |
| D2318099 | Certificate of Analysis | Feb 06, 2025 | B134269 |
| Peso molecular | 266.010 g/mol |
|---|---|
| XLogP3 | 3.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 1 |
| Exact Mass | 264.935 Da |
| Monoisotopic Mass | 264.935 Da |
| Topological Polar Surface Area | 33.000 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 247.000 |
| 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 |
