Cas no 154257-85-9 (1-(3-bromo-5-chlorophenyl)ethan-1-one)
1-(3-bromo-5-chlorophenyl)ethan-1-one Chemical and Physical Properties
Names and Identifiers
-
- 1-(3-Bromo-5-chlorophenyl)ethanone
- LogP
- 3-Bromo-5-chloroacetophenone
- 1g of 1-(3-bromo-5-chlorophenyl)ehtnanone
- 3'-Bromo-5'-chloroacetophenone
- 3-Bromo-5-chlorophenylethanone
- Ethanone,1-(3-bromo-5-chlorophenyl)-
- 1-(3-bromo-5-chlorophenyl)ethan-1-one
- EN300-1893659
- MFCD13189467
- DTXSID40599327
- FT-0746330
- SCHEMBL6246571
- CL9357
- SY108552
- AS-10543
- AB68467
- AS-813/43501556
- 3 inverted exclamation mark -Bromo-5 inverted exclamation mark -chloroacetophenone
- AKOS016006800
- A852363
- CS-0041765
- 154257-85-9
- DB-064029
-
- MDL: MFCD13189467
- Inchi: 1S/C8H6BrClO/c1-5(11)6-2-7(9)4-8(10)3-6/h2-4H,1H3
- InChI Key: IEWFDTXICLHPTE-UHFFFAOYSA-N
- SMILES: BrC1=CC(=CC(C(C)=O)=C1)Cl
Computed Properties
- Exact Mass: 231.92908
- Monoisotopic Mass: 231.92906g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 160
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.9
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- Density: 1.566
- PSA: 17.07
1-(3-bromo-5-chlorophenyl)ethan-1-one Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | B800115-10mg |
1-(3-Bromo-5-chlorophenyl)ethanone |
154257-85-9 | 10mg |
$ 50.00 | 2022-06-06 | ||
| TRC | B800115-50mg |
1-(3-Bromo-5-chlorophenyl)ethanone |
154257-85-9 | 50mg |
$ 70.00 | 2022-06-06 | ||
| TRC | B800115-100mg |
1-(3-Bromo-5-chlorophenyl)ethanone |
154257-85-9 | 100mg |
$ 95.00 | 2022-06-06 | ||
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-GJ999-250mg |
1-(3-bromo-5-chlorophenyl)ethan-1-one |
154257-85-9 | 97% | 250mg |
470CNY | 2021-05-08 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-GJ999-100mg |
1-(3-bromo-5-chlorophenyl)ethan-1-one |
154257-85-9 | 97% | 100mg |
178CNY | 2021-05-08 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-GJ999-1g |
1-(3-bromo-5-chlorophenyl)ethan-1-one |
154257-85-9 | 97% | 1g |
1422.0CNY | 2021-07-12 | |
| Chemenu | CM132047-1g |
1-(3-bromo-5-chlorophenyl)ethan-1-one |
154257-85-9 | 95%+ | 1g |
$77 | 2023-01-09 | |
| Chemenu | CM132047-5g |
1-(3-bromo-5-chlorophenyl)ethan-1-one |
154257-85-9 | 95%+ | 5g |
$278 | 2023-01-09 | |
| Chemenu | CM132047-10g |
1-(3-bromo-5-chlorophenyl)ethan-1-one |
154257-85-9 | 95+% | 10g |
$898 | 2022-06-12 | |
| Apollo Scientific | OR400317-1g |
3'-Bromo-5'-chloroacetophenone |
154257-85-9 | 1g |
£58.00 | 2023-09-01 |
1-(3-bromo-5-chlorophenyl)ethan-1-one Suppliers
1-(3-bromo-5-chlorophenyl)ethan-1-one Related Literature
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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2. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
Additional information on 1-(3-bromo-5-chlorophenyl)ethan-1-one
Comprehensive Overview of 1-(3-bromo-5-chlorophenyl)ethan-1-one (CAS No. 154257-85-9): Properties, Applications, and Industry Relevance
1-(3-bromo-5-chlorophenyl)ethan-1-one, identified by its CAS number 154257-85-9, is a specialized organic compound gaining attention in pharmaceutical and agrochemical research. This halogenated aromatic ketone features a unique molecular structure with both bromo and chloro substituents, making it a valuable intermediate in synthetic chemistry. Recent studies highlight its role in developing novel active pharmaceutical ingredients (APIs), particularly in kinase inhibitor scaffolds – a hot topic in cancer therapy research. The compound's electron-withdrawing properties and ring stability contribute to its versatility in cross-coupling reactions, a frequent search query among organic chemists exploring Suzuki-Miyaura couplings.
In the context of green chemistry trends, researchers are investigating eco-friendly synthetic routes for 154257-85-9 to address growing concerns about sustainable manufacturing. Analytical techniques like HPLC purity analysis and LC-MS characterization (commonly searched analytical methods) confirm its high stability under standard storage conditions. The compound's crystallographic data, including its distinctive orthorhombic crystal system, has been documented in several crystallography databases – a detail often requested by material scientists studying molecular packing behaviors.
The pharmaceutical industry particularly values 1-(3-bromo-5-chlorophenyl)ethan-1-one for its role in creating biaryl ether derivatives, a structural motif prevalent in neurological drugs. Recent patent analyses reveal its incorporation in TRPV1 modulator development (a trending pain management target) and JAK-STAT pathway inhibitors. These applications align with current healthcare focus areas like precision medicine and targeted therapies, keywords showing increased search volume in scientific literature databases.
From a regulatory perspective, CAS 154257-85-9 complies with major chemical inventories including TSCA and EINECS, a crucial consideration for manufacturers facing increasing chemical compliance requirements. Its logP value of 2.8 ± 0.3 (predicted) suggests favorable ADME properties for drug development – a key parameter frequently searched by medicinal chemists. The compound's thermal stability up to 200°C makes it suitable for various high-temperature reactions, addressing common processing questions in industrial chemistry forums.
Emerging applications in material science include its use as a precursor for organic semiconductors and photovoltaic materials, connecting to renewable energy research trends. The bromo-chloro substitution pattern enables precise molecular engineering of conjugated systems, a technique gaining traction in OLED development circles. Analytical data shows characteristic NMR peaks at 7.85 ppm (aromatic protons) and 2.65 ppm (acetyl group) – spectral information highly sought after by analytical chemists performing structure elucidation.
Quality control protocols for 1-(3-bromo-5-chlorophenyl)ethan-1-one typically involve GC-MS verification (98.5% purity threshold) and heavy metal screening, meeting stringent ICH guidelines for pharmaceutical intermediates. The compound's molecular weight of 247.5 g/mol and melting point range of 78-81°C are frequently referenced physical properties in technical datasheets. Recent innovations in continuous flow chemistry have demonstrated efficient kilogram-scale production of this intermediate, responding to industry demands for process intensification solutions.
In academic settings, 154257-85-9 serves as an excellent case study for electrophilic aromatic substitution mechanisms and protecting group strategies – fundamental concepts with growing online educational content. Its X-ray diffraction data reveals interesting intermolecular interactions that contribute to crystal lattice stability, a subject of numerous computational chemistry studies. The compound's UV-Vis spectrum shows maximum absorption at 280 nm, information valuable for researchers developing photocatalysts or photoinitiators.
The global market for halogenated acetophenone derivatives like 1-(3-bromo-5-chlorophenyl)ethan-1-one is projected to grow at 6.2% CAGR through 2028, driven by expanding contract research organization activities and generic drug development. Proper storage conditions (recommended: inert atmosphere at 2-8°C) and handling precautions are thoroughly documented in safety data sheets, addressing common workplace safety queries. As research continues, this compound maintains its position as a versatile building block in modern organic synthesis, bridging traditional chemistry with cutting-edge drug discovery and advanced materials innovation.
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