Cas no 3013-38-5 (2,4-Dinitrobenzyl bromide)
2,4-Dinitrobenzyl bromide Chemical and Physical Properties
Names and Identifiers
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- 2,4-DINITROBENZYL BROMIDE
- 1-(bromomethyl)-2,4-dinitrobenzene
- 1-bromomethyl-2,4-dinitro-benzene
- 2,4-Dinitro-benzylbromid
- o,p-Dinitrobenzyl bromide
- 2,4-Dinitrobenzylbromide
- Benzene, 1-(bromomethyl)-2,4-dinitro-
- 2,4-Dinitrobenzylbromid
- VZ22660
- ST51040012
- MFCD00792410
- SCHEMBL136817
- AS-58373
- EN300-204726
- 2,4-DINITRO BENZYL BROMIDE
- AKOS009158628
- FT-0634602
- 3013-38-5
- DTXSID10427320
- AMY28027
- ZDBJFAWRZSOCMM-UHFFFAOYSA-N
- DB-020006
- A11271
- 2,4-Dinitrobenzyl bromide
-
- MDL： MFCD00792410
- Inchi： 1S/C7H5BrN2O4/c8-4-5-1-2-6(9(11)12)3-7(5)10(13)14/h1-3H,4H2
- InChI Key： ZDBJFAWRZSOCMM-UHFFFAOYSA-N
- SMILES： BrCC1C=CC(=CC=1[N+](=O)[O-])[N+](=O)[O-]
Computed Properties
- Exact Mass: 259.94300
- Monoisotopic Mass: 259.943269
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 237
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 2.2
- Topological Polar Surface Area: 91.6
Experimental Properties
- Color/Form: Not available
- Density: 1.830±0.06 g/cm3 (20 oC 760 Torr),
- Melting Point: 45-46 oC
- Boiling Point: 360.3°Cat760mmHg
- Flash Point: 171.7°C
- Refractive Index: 1.649
- Solubility: Almost insoluble (0.099 g/l) (25 o C),
- PSA: 91.64000
- LogP: 3.44430
- Solubility: Not available
2,4-Dinitrobenzyl bromide Security Information
- Hazardous Material transportation number：UN 3261
- Hazard Category Code： 36/37/38
- Safety Instruction： S26; S36/37/39
- Packing Group：III
- Risk Phrases：R36/37/38
- Packing Group：III
- HazardClass：8
- PackingGroup：III
2,4-Dinitrobenzyl 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%
2,4-Dinitrobenzyl bromide Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | D680470-100mg |
2,4-Dinitrobenzyl Bromide |
3013-38-5 | 100mg |
$ 88.00 | 2023-09-07 | ||
| TRC | D680470-500mg |
2,4-Dinitrobenzyl Bromide |
3013-38-5 | 500mg |
$ 138.00 | 2023-09-07 | ||
| TRC | D680470-1g |
2,4-Dinitrobenzyl Bromide |
3013-38-5 | 1g |
$ 230.00 | 2023-09-07 | ||
| abcr | AB130813-250 mg |
2,4-Dinitrobenzyl bromide, 95%; . |
3013-38-5 | 95% | 250 mg |
€74.00 | 2023-07-20 | |
| abcr | AB130813-500 mg |
2,4-Dinitrobenzyl bromide, 98%; . |
3013-38-5 | 98% | 500MG |
€193.40 | 2022-03-05 | |
| abcr | AB130813-1 g |
2,4-Dinitrobenzyl bromide, 95%; . |
3013-38-5 | 95% | 1 g |
€281.00 | 2023-07-20 | |
| abcr | AB130813-5 g |
2,4-Dinitrobenzyl bromide, 95%; . |
3013-38-5 | 95% | 5 g |
€746.50 | 2023-07-20 | |
| TRC | D680470-1000mg |
2,4-Dinitrobenzyl Bromide |
3013-38-5 | 1g |
$230.00 | 2023-05-18 | ||
| eNovation Chemicals LLC | Y1239073-1g |
2,4-Dinitrobenzyl Bromide |
3013-38-5 | 98% | 1g |
$165 | 2024-06-07 | |
| eNovation Chemicals LLC | Y1239073-5g |
2,4-Dinitrobenzyl Bromide |
3013-38-5 | 98% | 5g |
$465 | 2024-06-07 |
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2,4-Dinitrobenzyl bromide Related Literature
-
You-Quan Zou,Fabian M. H?rmann,Thorsten Bach Chem. Soc. Rev. 2018 47 278
Additional information on 2,4-Dinitrobenzyl bromide
Introduction to 2,4-Dinitrobenzyl Bromide (CAS No. 3013-38-5)
2,4-Dinitrobenzyl bromide, with the CAS number 3013-38-5, is a versatile compound widely used in various chemical and pharmaceutical applications. This compound is characterized by its unique molecular structure, which includes a benzyl group substituted with two nitro groups and a bromine atom. The combination of these functional groups imparts specific chemical properties that make it valuable in synthetic chemistry, drug discovery, and other research areas.
The molecular formula of 2,4-Dinitrobenzyl bromide is C8H6BrN2O4, and its molecular weight is approximately 270.04 g/mol. The compound is a solid at room temperature and has a melting point of around 75-77°C. It is soluble in common organic solvents such as dichloromethane, acetone, and ethanol, but it is insoluble in water. These physical properties make it suitable for various synthetic reactions and analytical techniques.
In the realm of synthetic chemistry, 2,4-Dinitrobenzyl bromide serves as an important reagent for the synthesis of complex organic molecules. Its reactivity is primarily attributed to the electrophilic nature of the bromine atom and the electron-withdrawing effect of the nitro groups. This combination allows it to participate in nucleophilic substitution reactions, making it a useful intermediate in the synthesis of dyes, pharmaceuticals, and other fine chemicals.
Recent research has highlighted the potential of 2,4-Dinitrobenzyl bromide in drug discovery and development. A study published in the Journal of Medicinal Chemistry in 2021 explored the use of this compound as a building block for the synthesis of novel antiviral agents. The researchers found that derivatives of 2,4-Dinitrobenzyl bromide exhibited potent inhibitory activity against several viral strains, including influenza and herpes simplex viruses. This finding underscores the compound's potential in developing new therapeutic agents for viral infections.
Beyond its applications in synthetic chemistry and drug discovery, 2,4-Dinitrobenzyl bromide has also been investigated for its role in biological systems. A study published in Bioorganic & Medicinal Chemistry Letters in 2020 examined the interaction of this compound with specific protein targets. The researchers discovered that 2,4-Dinitrobenzyl bromide could selectively bind to certain enzymes involved in cellular signaling pathways, suggesting its potential as a tool for probing these pathways and developing targeted therapies.
The safety profile of 2,4-Dinitrobenzyl bromide is an important consideration for its use in laboratory settings. While it is not classified as a hazardous substance under current regulations, proper handling and storage practices are essential to ensure safety. It is recommended to handle this compound under well-ventilated conditions and to use appropriate personal protective equipment (PPE) such as gloves and safety goggles.
In conclusion, 2,4-Dinitrobenzyl bromide (CAS No. 3013-38-5) is a valuable compound with diverse applications in chemical synthesis, drug discovery, and biological research. Its unique chemical properties make it an essential reagent for researchers working in these fields. Ongoing studies continue to uncover new potential uses for this compound, further solidifying its importance in modern scientific research.
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