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2-(2-Bromo-6-fluorophenyl)acetonitrile - ≥98% , CAS No.936693-22-0
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GRADE & PURITY ≥98%
Storage
Room temperature
Shipped In
Normal
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Why this grade
≥98% 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
Spezifikationen & Reinheit
≥98%
Storage
Room temperature
Verschickt in
Normal
Reinheit
≥98%
Namen und Kennungen
| Kanonisches Lächeln | C1=CC(=C(C(=C1)Br)CC#N)F |
|---|---|
| IUPAC Name | 2-(2-bromo-6-fluorophenyl)acetonitrile |
| InChIKey | QFEXNLSISKHIBO-UHFFFAOYSA-N |
| INCHI | 1S/C8H5BrFN/c9-7-2-1-3-8(10)6(7)4-5-11/h1-3H,4H2 |
| Isomere SMILES | C1=CC(=C(C(=C1)Br)CC#N)F |
| PubChem CID | 66717761 |
| Molekulargewicht | 214.03 |
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
Taxonomic Classification
Taxonomy Tree
- Kingdom Organic compounds
- Superclass Benzenoids
- Klasse Benzene and substituted derivatives
- Subclass Benzyl cyanides
- Klasse Benzene and substituted derivatives
- Superclass Benzenoids
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Klasse | Benzene and substituted derivatives |
| Subclass | Benzyl cyanides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzyl cyanides |
| Alternative Parents | Fluorobenzenes Bromobenzenes Aryl fluorides Aryl bromides Nitriles Organofluorides Organobromides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzyl-cyanide - Bromobenzene - Fluorobenzene - Halobenzene - Aryl bromide - Aryl fluoride - Aryl halide - Carbonitrile - Nitrile - Organohalogen compound - Organobromide - Organofluoride - Organonitrogen compound - Hydrocarbon derivative - Cyanide - Organic nitrogen compound - Aromatic homomonocyclic compound |
| Beschreibung | 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 |
3D-Struktur
Interaktives chemisches Strukturmodell
Zertifikate (CoA, COO, BSE/TSE und Analyse-Diagramm)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemische und physikalische Eigenschaften
| Molekulargewicht | 214.030 g/mol |
|---|---|
| XLogP3 | 2.400 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 212.959 Da |
| Monoisotopic Mass | 212.959 Da |
| Topological Polar Surface Area | 23.800 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 174.000 |
| 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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