Cas no 815-23-6 (Bromopentafluoroacetone)
Bromopentafluoroacetone Chemical and Physical Properties
Names and Identifiers
-
- Bromopentafluoroacetone
- Bromopentafluoro-2-propanone
- Pentafluorobromoacetone
- 1-bromo-1,1,3,3,3-pentafluoropropan-2-one
- 1-bromanyl-1,1,3,3,3-pentakis(fluoranyl)propan-2-one
- DTXSID70371299
- AS-81523
- IYDJQZOFWOSTFO-UHFFFAOYSA-N
- FT-0623253
- 1-bromo-1,1,3,3,3-pentafluoro-2-propanone
- AKOS015833924
- CS-0455889
- 815-23-6
- A840152
- Bromopentafluoroacetone, AldrichCPR
- SCHEMBL6408848
- DB-056535
- 1-bromo-1,1,3,3,3-pentafluoroacetone
-
- MDL: MFCD00153080
- Inchi: 1S/C3BrF5O/c4-2(5,6)1(10)3(7,8)9
- InChI Key: IYDJQZOFWOSTFO-UHFFFAOYSA-N
- SMILES: BrC(C(C(F)(F)F)=O)(F)F
- BRN: 1773590
Computed Properties
- Exact Mass: 225.90500
- Monoisotopic Mass: 225.905
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 10
- Rotatable Bond Count: 2
- Complexity: 150
- 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
- Topological Polar Surface Area: 17.1A^2
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 2.6
Experimental Properties
- Color/Form: Not determined
- Density: 1.961
- Boiling Point: 31-33°C
- Flash Point: 31-33°C
- Refractive Index: 1.343
- PSA: 17.07000
- LogP: 2.10550
- Sensitiveness: Light Sensitive/Lachrymatory
- Solubility: Not determined
Bromopentafluoroacetone Security Information
- Hazard Statement: Corrosive/Lachrymatory/Keep Cold/Light Sensitiv
- Hazardous Material transportation number:3265
- Hazard Category Code: 34-25
- Safety Instruction: S23-S36/37/39
-
Hazardous Material Identification:
- HazardClass:6.1
- PackingGroup:III
- Storage Condition:Keep cold
- Safety Term:6.1
- Packing Group:III
- Risk Phrases:R34
Bromopentafluoroacetone Customs Data
- HS CODE:2914700090
- Customs Data:
China Customs Code:
2914700090Overview:
2914700090 Halogenation of other ketones and quinones\Sulfonated derivative(Including nitrated and nitrosative derivatives). VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:5.5% general tariff:30.0%
Declaration elements:
Product Name, component content, use to, Acetone declared packaging
Summary:
HS: 2914700090 halogenated, sulphonated, nitrated or nitrosated derivatives of ketones and quinones, whether or not with other oxygen function Tax rebate rate:9.0% Supervision conditions:none VAT:17.0% MFN tariff:5.5% General tariff:30.0%
Bromopentafluoroacetone Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Fluorochem | 004260-250mg |
Bromopentafluoroacetone |
815-23-6 | 98% | 250mg |
£30.00 | 2022-02-28 | |
| TRC | B292985-250mg |
Bromopentafluoroacetone |
815-23-6 | 250mg |
$ 50.00 | 2022-06-07 | ||
| TRC | B292985-500mg |
Bromopentafluoroacetone |
815-23-6 | 500mg |
$ 65.00 | 2022-06-07 | ||
| TRC | B292985-2.5g |
Bromopentafluoroacetone |
815-23-6 | 2.5g |
$ 160.00 | 2022-06-07 | ||
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | B914443-5g |
Bromopentafluoroacetone |
815-23-6 | 95% | 5g |
¥1,308.60 | 2022-01-10 | |
| Apollo Scientific | PC1518-250mg |
Bromopentafluoroacetone |
815-23-6 | 98% | 250mg |
£75.00 | 2025-02-19 | |
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | B914443-250mg |
Bromopentafluoroacetone |
815-23-6 | 95% | 250mg |
¥122.40 | 2022-01-10 | |
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | B914443-1g |
Bromopentafluoroacetone |
815-23-6 | 95% | 1g |
¥367.20 | 2022-01-10 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1526556-250mg |
1-Bromo-1,1,3,3,3-pentafluoropropan-2-one |
815-23-6 | 98% | 250mg |
¥183.00 | 2024-07-28 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1526556-1g |
1-Bromo-1,1,3,3,3-pentafluoropropan-2-one |
815-23-6 | 98% | 1g |
¥477.00 | 2024-07-28 |
Bromopentafluoroacetone Related Literature
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1. Hydrophilic and hydrophobic phenomena in electrolyte solutionsChai-fu Pan J. Chem. Soc. Faraday Trans. 1 1988 84 1341
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2. Phosphinobenzyl- and aryl-silanes and their triosmium cluster carbonyl derivativesHow Ghee Ang,Betty Chang,Whei Lu Kwik J. Chem. Soc. Dalton Trans. 1992 2161
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3. The molecular and crystal structure of (+)-2,3-trans-3,4-trans-leucocyanidin [(2R,3S,4R)-(+)-3,3′,4,4′,5,7-hexahydroxyflavan] dihydrate, and comparison of its heterocyclic ring conformation in solution and the solid stateLawrence J. Porter,Rosalind Y. Wong,Bock G. Chan J. Chem. Soc. Perkin Trans. 1 1985 1413
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4. Specific inhibitors in vitamin biosynthesis. Part 10. Synthesis of 7- and 8-substituted 7-deazaguaninesColin L. Gibson,Kyuji Ohta,Klaus Paulini,Colin J. Suckling J. Chem. Soc. Perkin Trans. 1 1998 3025
Additional information on Bromopentafluoroacetone
Professional Introduction to Bromopentafluoroacetone (CAS No. 815-23-6)
Bromopentafluoroacetone, with the chemical formula C?HF?BrO, is a significant compound in the field of organic synthesis and pharmaceutical chemistry. Its unique structure, featuring a bromine substituent and a pentafluoroacetone backbone, makes it a versatile intermediate in the preparation of various complex molecules. This compound, identified by the CAS number 815-23-6, has garnered considerable attention due to its role in synthesizing biologically active agents and advanced materials.
The< strong>Bromopentafluoroacetone molecule is characterized by its high reactivity, which stems from the presence of both electrophilic and nucleophilic centers. The bromine atom provides a site for electrophilic substitution reactions, while the carbonyl group and fluorinated ring system offer opportunities for nucleophilic addition and condensation reactions. These properties have made it a valuable building block in the construction of heterocyclic compounds, which are prevalent in many pharmaceuticals and agrochemicals.
In recent years, research has highlighted the utility of< strong>Bromopentafluoroacetone in the development of novel therapeutic agents. For instance, studies have demonstrated its role in synthesizing fluorinated ketones, which exhibit enhanced metabolic stability and improved bioavailability. These attributes are particularly crucial in drug design, where pharmacokinetic properties often determine the efficacy of a therapeutic intervention. The incorporation of fluorine atoms into drug molecules is well-documented for its ability to modulate lipophilicity, solubility, and binding affinity.
One notable application of< strong>Bromopentafluoroacetone is in the synthesis of antiviral and anticancer agents. The fluorinated backbone disrupts hydrogen bonding patterns in biological targets, leading to increased binding affinity and selectivity. Recent advancements in medicinal chemistry have leveraged this property to develop inhibitors that target viral proteases and kinases. For example, derivatives of< strong>Bromopentafluoroacetone have been explored as potential inhibitors of HIV protease, showing promise in preclinical studies.
The< strong>pentafluoroacetone moiety also plays a critical role in material science applications. Fluorinated compounds are known for their thermal stability and chemical inertness, making them ideal for high-performance materials. Researchers have utilized< strong>Bromopentafluoroacetone as a precursor in the synthesis of fluoropolymers and liquid crystals. These materials find applications in electronics, coatings, and optical devices due to their exceptional properties such as low friction coefficients and high dielectric constants.
In synthetic organic chemistry, Bromopentafluoroacetone serves as a key intermediate in cross-coupling reactions. Its ability to participate in palladium-catalyzed reactions allows for the efficient construction of carbon-carbon bonds, which are essential for building complex molecular architectures. This has been particularly useful in the synthesis of natural products and drug candidates that feature multiple stereocenters. The compound's reactivity profile enables chemists to achieve regioselectivity and stereoselectivity, which are critical factors in pharmaceutical development.
The< strong>CAS No. 815-23-6 designation ensures that researchers can reliably identify and source this compound for their experiments. Regulatory compliance and quality control are paramount when handling intermediates like< strong>Bromopentafluoroacetone, as they often serve as starting materials for larger-scale syntheses. Manufacturers adhere to stringent guidelines to ensure purity and consistency, which are essential for reproducible results across different research groups.
Future research directions may explore novel derivatives of< strong>Bromopentafluoroacetone with enhanced functionalities. The integration of machine learning algorithms into molecular design could accelerate the discovery of new applications for this compound. By leveraging computational methods, scientists can predict reaction outcomes and optimize synthetic routes more efficiently than traditional experimental approaches.
In conclusion,< strong>Bromopentafluoroacetone (CAS No. 815-23-6) is a multifaceted compound with broad applications in pharmaceuticals, materials science, and organic synthesis. Its unique structural features enable diverse chemical transformations, making it an indispensable tool for researchers seeking to develop innovative solutions across multiple disciplines.
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