Cas no 58579-54-7 (2-Bromo-6-nitrobenzyl Bromide)
2-Bromo-6-nitrobenzyl Bromide Chemical and Physical Properties
Names and Identifiers
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- 1-Bromo-2-(bromomethyl)-3-nitrobenzene
- 2-Bromo-6-nitrobenzyl bromide
- 2-nitro-6-bromo benzyl bromide
- 6-Bromo-2-nitrobenzyl bromide
- WT1504
- Benzene, 1-bromo-2-(bromomethyl)-3-nitro-
- JCBTXEUYUWGIMU-UHFFFAOYSA-N
- 3-Bromo-2-(bromomethyl)nitrobenzene
- AM83196
- 1-bromo-2-bromomethyl-3-nitro-benzene
- 1-bromo-2-(bromomethyl)-3-nitro-benzene
- AB0038909
- Y6307
- ST24021241
- A869407
- DTXSID10567715
- SCHEMBL162263
- EN300-39673
- AKOS009358007
- SY057635
- DB-364893
- 58579-54-7
- DS-2061
- MFCD11036286
- CS-W021305
- DTXCID10518489
- 2-Bromo-6-nitrobenzyl Bromide
-
- MDL: MFCD11036286
- Inchi: 1S/C7H5Br2NO2/c8-4-5-6(9)2-1-3-7(5)10(11)12/h1-3H,4H2
- InChI Key: JCBTXEUYUWGIMU-UHFFFAOYSA-N
- SMILES: BrC1=CC=CC(=C1CBr)[N+](=O)[O-]
Computed Properties
- Exact Mass: 292.86900
- Monoisotopic Mass: 292.86870 g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 171
- 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
- Molecular Weight: 294.93
- XLogP3: 3
- Topological Polar Surface Area: 45.8
Experimental Properties
- Boiling Point: 320.6±27.0℃ at 760 mmHg
- PSA: 45.82000
- LogP: 3.77540
2-Bromo-6-nitrobenzyl Bromide Customs Data
- HS CODE:2904909090
- Customs Data:
China Customs Code:
2904909090Overview:
2904909090 Sulfonation of other hydrocarbons\nitrification\Nitrosative derivative(Whether halogenated or not). 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
Summary:
HS:2904909090 sulphonated, nitrated or nitrosated derivatives of hydrocarbons, whether or not halogenated VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%
2-Bromo-6-nitrobenzyl Bromide Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Fluorochem | 213014-250mg |
1-Bromo-2-(bromomethyl)-3-nitrobenzene |
58579-54-7 | 95% | 250mg |
£48.00 | 2022-03-01 | |
| Fluorochem | 213014-1g |
1-Bromo-2-(bromomethyl)-3-nitrobenzene |
58579-54-7 | 95% | 1g |
£110.00 | 2022-03-01 | |
| Fluorochem | 213014-5g |
1-Bromo-2-(bromomethyl)-3-nitrobenzene |
58579-54-7 | 95% | 5g |
£351.00 | 2022-03-01 | |
| Fluorochem | 213014-10g |
1-Bromo-2-(bromomethyl)-3-nitrobenzene |
58579-54-7 | 95% | 10g |
£628.00 | 2022-03-01 | |
| Alichem | A013009711-250mg |
3-Bromo-2-(bromomethyl)nitrobenzene |
58579-54-7 | 97% | 250mg |
$489.60 | 2023-09-01 | |
| Alichem | A013009711-500mg |
3-Bromo-2-(bromomethyl)nitrobenzene |
58579-54-7 | 97% | 500mg |
$831.30 | 2023-09-01 | |
| Alichem | A013009711-1g |
3-Bromo-2-(bromomethyl)nitrobenzene |
58579-54-7 | 97% | 1g |
$1534.70 | 2023-09-01 | |
| TRC | B699408-250mg |
2-Bromo-6-nitrobenzyl Bromide |
58579-54-7 | 250mg |
$ 75.00 | 2023-04-18 | ||
| TRC | B699408-1g |
2-Bromo-6-nitrobenzyl Bromide |
58579-54-7 | 1g |
$ 145.00 | 2022-06-06 | ||
| TRC | B699408-5g |
2-Bromo-6-nitrobenzyl Bromide |
58579-54-7 | 5g |
$ 600.00 | 2022-06-06 |
2-Bromo-6-nitrobenzyl Bromide Related Literature
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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3. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
Additional information on 2-Bromo-6-nitrobenzyl Bromide
Comprehensive Overview of 2-Bromo-6-nitrobenzyl Bromide (CAS No. 58579-54-7): Properties, Applications, and Industry Insights
2-Bromo-6-nitrobenzyl Bromide (CAS No. 58579-54-7) is a specialized organic compound widely recognized for its role as a versatile intermediate in synthetic chemistry. With the molecular formula C7H5Br2NO2, this brominated aromatic compound features both nitro and bromomethyl functional groups, making it valuable for constructing complex molecules in pharmaceuticals, agrochemicals, and materials science. Its unique reactivity profile, particularly in nucleophilic substitution reactions and cross-coupling reactions, has garnered significant attention from researchers and industrial chemists alike.
In recent years, the demand for high-purity 2-Bromo-6-nitrobenzyl Bromide has surged due to its applications in drug discovery and catalyst design. A trending topic in organic synthesis is the development of sustainable bromination methods, where this compound serves as a benchmark for evaluating new protocols. Searches for "eco-friendly brominating agents" or "nitrobenzyl bromide derivatives" often highlight its relevance. Additionally, its role in polymer modification and photoactive materials aligns with the growing interest in smart materials and advanced functional polymers.
The physicochemical properties of CAS No. 58579-54-7 contribute to its utility. It typically appears as a pale-yellow crystalline solid with a melting point range of 80–85°C. Its solubility in polar organic solvents like dichloromethane and dimethylformamide (DMF) facilitates its use in homogeneous reaction systems. Researchers frequently inquire about "handling precautions for bromo-nitro compounds" or "stability under inert atmospheres," reflecting practical concerns in laboratory settings. Proper storage conditions (e.g., moisture-free, low-temperature environments) are critical to maintain its reactivity.
From a synthetic perspective, 2-Bromo-6-nitrobenzyl Bromide is pivotal in constructing heterocyclic scaffolds, a hot topic in medicinal chemistry. Its ability to participate in Pd-catalyzed couplings (e.g., Suzuki-Miyaura or Buchwald-Hartwig reactions) makes it a sought-after building block for biaryl motifs. Recent publications emphasize its use in creating EGFR kinase inhibitors and antimicrobial agents, addressing global health challenges like antibiotic resistance. Queries such as "nitrobenzyl bromide in C-C bond formation" or "bromomethyl group activation" underscore its mechanistic importance.
Industry trends also highlight the compound’s role in electronic materials. With the rise of organic electronics, its incorporation into charge-transfer complexes and nonlinear optical materials has been explored. Searches for "nitroaromatics in OLEDs" or "brominated intermediates for semiconductors" reveal intersecting interests between synthetic chemists and materials engineers. Furthermore, regulatory discussions on green chemistry principles have spurred innovations in recycling bromine-containing byproducts, indirectly impacting the supply chain for 58579-54-7.
In analytical chemistry, 2-Bromo-6-nitrobenzyl Bromide serves as a derivatization agent for HPLC and LC-MS applications, particularly in detecting trace amines or phenols. This aligns with the increasing demand for high-sensitivity analytical methods in environmental monitoring and food safety. Frequently asked questions like "derivatization protocols for nitrobenzyl bromides" or "mass spectrometry fragmentation patterns" reflect its analytical utility.
To summarize, CAS No. 58579-54-7 exemplifies the intersection of fundamental research and industrial innovation. Its multifaceted applications—from pharmaceutical intermediates to functional materials—make it a compound of enduring relevance. As synthetic methodologies evolve and sustainability becomes paramount, the strategic use of bromo-nitrobenzyl derivatives will likely expand, driven by both scientific curiosity and technological needs.
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