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2-Bromo-m-iodoacetophenone - ≥95% , CAS No.61858-38-6
注文可能
GRADE & PURITY ≥95%
Storage
Room temperature
Shipped In
Normal
Why this grade
≥95% 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
仕様と純度
≥95%
保管条件
Room temperature
入荷
Normal
純度
≥95%
名前と識別子
| カノニカル・スマイル | C1=CC(=CC(=C1)I)C(=O)CBr |
|---|---|
| IUPAC Name | 2-bromo-1-(3-iodophenyl)ethanone |
| InChIKey | LZXVONZDKAPXSO-UHFFFAOYSA-N |
| INCHI | 1S/C8H6BrIO/c9-5-8(11)6-2-1-3-7(10)4-6/h1-4H,5H2 |
| 異性体SMILES | C1=CC(=CC(=C1)I)C(=O)CBr |
| PubChem CID | 615780 |
| 分子量 | 324.94 |
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 Organic oxygen compounds
- 分類 Organooxygen compounds
- Subclass Carbonyl compounds
- Level5 Ketones
- Level6 Aryl ketones
- Level7 Phenylketones
- Level8 Alkyl-phenylketones
- Level7 Phenylketones
- Level6 Aryl ketones
- Level5 Ketones
- Subclass Carbonyl compounds
- 分類 Organooxygen compounds
- Superclass Organic oxygen compounds
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic oxygen compounds |
| 分類 | Organooxygen compounds |
| Subclass | Carbonyl compounds |
| Intermediate Tree Nodes | Ketones - Aryl ketones - Phenylketones |
| Direct Parent | Alkyl-phenylketones |
| Alternative Parents | Benzoyl derivatives Aryl alkyl ketones Iodobenzenes Aryl iodides Alpha-haloketones Organoiodides Organobromides Organic oxides Hydrocarbon derivatives Alkyl bromides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Alkyl-phenylketone - Benzoyl - Aryl alkyl ketone - Halobenzene - Iodobenzene - Aryl halide - Aryl iodide - Monocyclic benzene moiety - Benzenoid - Alpha-haloketone - Hydrocarbon derivative - Organic oxide - Alkyl halide - Organohalogen compound - Organobromide - Organoiodide - Alkyl bromide - Aromatic homomonocyclic compound |
| 説明 | This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. |
| External Descriptors | Not available |
3 D構造
インタラクティブ化学構造モデル
証明書（CoA、COO、BSE/TSEと分析図）
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
化学的性質と物理的性質
| 分子量 | 324.940 g/mol |
|---|---|
| XLogP3 | 3.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 2 |
| Exact Mass | 323.865 Da |
| Monoisotopic Mass | 323.865 Da |
| Topological Polar Surface Area | 17.100 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 149.000 |
| 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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