≥95% 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.
| Sonrisas canónicas | COC1=C(C(=CC(=C1)CC#N)Br)OC(F)F |
|---|---|
| IUPAC Name | 2-[3-bromo-4-(difluoromethoxy)-5-methoxyphenyl]acetonitrile |
| InChIKey | LNICRLCJFVTQEA-UHFFFAOYSA-N |
| INCHI | 1S/C10H8BrF2NO2/c1-15-8-5-6(2-3-14)4-7(11)9(8)16-10(12)13/h4-5,10H,2H2,1H3 |
| Isómeros SMILES | COC1=C(C(=CC(=C1)CC#N)Br)OC(F)F |
| PubChem CID | 45830016 |
| Peso molecular | 292.07 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Clase | Benzene and substituted derivatives |
| Subclass | Benzyl cyanides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzyl cyanides |
| Alternative Parents | Phenoxy compounds Methoxybenzenes Anisoles Bromobenzenes Alkyl aryl ethers Aryl bromides Nitriles Organofluorides Organobromides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzyl-cyanide - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Nitrile - Carbonitrile - Ether - Organobromide - Organohalogen compound - Organooxygen compound - Hydrocarbon derivative - Cyanide - Alkyl fluoride - Organic nitrogen compound - Organic oxygen compound - Alkyl halide - Organofluoride - Organonitrogen compound - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as benzyl cyanides. These are organic compounds containing an acetonitrile with one hydrogen replaced by a phenyl group. |
| External Descriptors | Not available |
| Peso molecular | 292.080 g/mol |
|---|---|
| XLogP3 | 3.200 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 290.971 Da |
| Monoisotopic Mass | 290.971 Da |
| Topological Polar Surface Area | 42.300 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 269.000 |
| 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 |
![2-[3-Bromo-4-(difluoromethoxy)-5-methoxyphenyl]acetonitrile - ≥95% , CAS No.1181503-01-4](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)