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(4-Bromo-3-fluorophenyl)(3-((2,5-dihydro-1H-pyrrol-1-yl)methyl)phenyl)methanone , CAS No.898749-10-5
Disponible para pedir
Storage
Room temperature
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Why this grade
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
Condiciones de almacenamiento de almacenamiento
Room temperature
Nombres e identificadores
| Sonrisas canónicas | C1C=CCN1CC2=CC(=CC=C2)C(=O)C3=CC(=C(C=C3)Br)F |
|---|---|
| IUPAC Name | (4-bromo-3-fluorophenyl)-[3-(2,5-dihydropyrrol-1-ylmethyl)phenyl]methanone |
| InChIKey | TZAPRFRPFRPXKM-UHFFFAOYSA-N |
| INCHI | 1S/C18H15BrFNO/c19-16-7-6-15(11-17(16)20)18(22)14-5-3-4-13(10-14)12-21-8-1-2-9-21/h1-7,10-11H,8-9,12H2 |
| Isómeros SMILES | C1C=CCN1CC2=CC(=CC=C2)C(=O)C3=CC(=C(C=C3)Br)F |
| PubChem CID | 24725094 |
| Peso molecular | 360.226 |
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
- Clase Benzene and substituted derivatives
- Subclass Benzophenones
- Clase Benzene and substituted derivatives
- Superclass Benzenoids
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Clase | Benzene and substituted derivatives |
| Subclass | Benzophenones |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzophenones |
| Alternative Parents | Aryl-phenylketones Diphenylmethanes Phenylmethylamines Benzoyl derivatives Benzylamines Aralkylamines Fluorobenzenes Bromobenzenes Aryl bromides Aryl fluorides Pyrrolines Trialkylamines Azacyclic compounds Organopnictogen compounds Organic oxides Organobromides Organofluorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Benzophenone - Diphenylmethane - Aryl-phenylketone - Benzoyl - Benzylamine - Phenylmethylamine - Aryl ketone - Bromobenzene - Fluorobenzene - Halobenzene - Aralkylamine - Aryl fluoride - Aryl halide - Aryl bromide - Pyrroline - Tertiary amine - Tertiary aliphatic amine - Ketone - Organoheterocyclic compound - Azacycle - Hydrocarbon derivative - Organohalogen compound - Organic oxide - Amine - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organobromide - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as benzophenones. These are organic compounds containing a ketone attached to two phenyl groups. |
| External Descriptors | Not available |
Estructura 3D
Modelo de Estructura Química Interactiva
Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propiedades químicas y físicas
| Peso molecular | 360.200 g/mol |
|---|---|
| XLogP3 | 4.100 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 359.032 Da |
| Monoisotopic Mass | 359.032 Da |
| Topological Polar Surface Area | 20.300 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 419.000 |
| 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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