Cas no 461425-63-8 (3-bromo-4-ethylbenzaldehyde)
3-bromo-4-ethylbenzaldehyde Chemical and Physical Properties
Names and Identifiers
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- Benzaldehyde, 3-bromo-4-ethyl- (9CI)
- 3-bromo-4-ethylbenzaldehyde
- DTXSID40624002
- RQHCEGIMPJEZGS-UHFFFAOYSA-N
- SCHEMBL2909366
- 461425-63-8
- DB-315193
- EN300-214399
-
- MDL: MFCD18824410
- Inchi: 1S/C9H9BrO/c1-2-8-4-3-7(6-11)5-9(8)10/h3-6H,2H2,1H3
- InChI Key: RQHCEGIMPJEZGS-UHFFFAOYSA-N
- SMILES: BrC1C=C(C=O)C=CC=1CC
Computed Properties
- Exact Mass: 211.98368g/mol
- Monoisotopic Mass: 211.98368g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 136
- 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
3-bromo-4-ethylbenzaldehyde Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Enamine | EN300-214399-0.05g |
3-bromo-4-ethylbenzaldehyde |
461425-63-8 | 0.05g |
$612.0 | 2023-09-16 | ||
| Enamine | EN300-214399-0.1g |
3-bromo-4-ethylbenzaldehyde |
461425-63-8 | 0.1g |
$640.0 | 2023-09-16 | ||
| Enamine | EN300-214399-0.25g |
3-bromo-4-ethylbenzaldehyde |
461425-63-8 | 0.25g |
$670.0 | 2023-09-16 | ||
| Enamine | EN300-214399-0.5g |
3-bromo-4-ethylbenzaldehyde |
461425-63-8 | 0.5g |
$699.0 | 2023-09-16 | ||
| Enamine | EN300-214399-1.0g |
3-bromo-4-ethylbenzaldehyde |
461425-63-8 | 1g |
$728.0 | 2023-05-23 | ||
| Enamine | EN300-214399-2.5g |
3-bromo-4-ethylbenzaldehyde |
461425-63-8 | 2.5g |
$1428.0 | 2023-09-16 | ||
| Enamine | EN300-214399-5.0g |
3-bromo-4-ethylbenzaldehyde |
461425-63-8 | 5g |
$2110.0 | 2023-05-23 | ||
| Enamine | EN300-214399-10.0g |
3-bromo-4-ethylbenzaldehyde |
461425-63-8 | 10g |
$3131.0 | 2023-05-23 | ||
| Enamine | EN300-214399-1g |
3-bromo-4-ethylbenzaldehyde |
461425-63-8 | 1g |
$728.0 | 2023-09-16 | ||
| Enamine | EN300-214399-5g |
3-bromo-4-ethylbenzaldehyde |
461425-63-8 | 5g |
$2110.0 | 2023-09-16 |
3-bromo-4-ethylbenzaldehyde Related Literature
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
Additional information on 3-bromo-4-ethylbenzaldehyde
3-Bromo-4-Ethylbenzaldehyde: A Comprehensive Overview
3-Bromo-4-Ethylbenzaldehyde (CAS No. 461425-63-8) is a versatile organic compound that has garnered significant attention in both academic and industrial research. This compound, also referred to as 4-ethyl-3-bromobenzaldehyde, belongs to the family of substituted benzaldehydes, which are widely used in various chemical reactions and applications. Its structure consists of a benzene ring with a bromine atom at the 3-position and an ethyl group at the 4-position, along with an aldehyde group attached directly to the benzene ring.
The synthesis of 3-bromo-4-ethylbenzaldehyde can be achieved through several methods, including Friedel-Crafts alkylation and subsequent bromination. Recent studies have explored more efficient and environmentally friendly synthesis routes, leveraging catalytic systems and green chemistry principles. These advancements have not only improved the yield but also reduced the environmental footprint of its production.
One of the key properties of 3-bromo-4-ethylbenzaldehyde is its reactivity in various organic reactions. For instance, it serves as an excellent substrate for nucleophilic addition reactions due to the electron-withdrawing effect of the aldehyde group. This makes it valuable in the synthesis of complex molecules, including pharmaceutical intermediates and agrochemicals. Moreover, the presence of the bromine atom at the 3-position introduces additional reactivity, enabling selective substitution reactions under specific conditions.
In terms of applications, 3-bromo-4-ethylbenzaldehyde has found utility in fragrance chemistry, where it contributes to the creation of aromatic compounds with unique olfactory profiles. Its ability to undergo oxidation and reduction reactions makes it a valuable precursor in the synthesis of fine chemicals. Recent research has also highlighted its potential in materials science, particularly in the development of novel polymers and coatings with enhanced thermal stability.
From a pharmacological perspective, 3-bromo-4-ethylbenzaldehyde has been investigated for its potential bioactivity. Studies have shown that it exhibits moderate anti-inflammatory and antioxidant properties, making it a candidate for further exploration in drug discovery programs. Additionally, its structural versatility allows for modifications that could enhance its bioavailability and therapeutic efficacy.
The physical properties of 3-bromo-4-ethylbenzaldehyde are well-documented, with a melting point of approximately 50°C and a boiling point around 180°C under standard conditions. Its solubility in common solvents such as dichloromethane and ethanol facilitates its use in various laboratory settings. The compound is stable under normal storage conditions but should be protected from moisture and light to prevent degradation.
Recent advancements in analytical techniques have enabled precise characterization of 3-bromo-4-ethylbenzaldehyde at both molecular and bulk levels. Techniques such as nuclear magnetic resonance (NMR) spectroscopy and mass spectrometry provide detailed insights into its structure and purity. These tools are essential for ensuring consistent quality in industrial production processes.
In conclusion, 3-bromo-4-ethylbenzaldehyde is a multifaceted compound with a wide range of applications across different fields. Its chemical reactivity, combined with recent innovations in synthesis and characterization methods, positions it as an important building block in modern organic chemistry. As research continues to uncover new potentials for this compound, its role in both academic and industrial settings is likely to expand further.
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