Cas no 2339-78-8 (1,2-Dichloro-4-fluoro-5-nitrobenzene)
1,2-Dichloro-4-fluoro-5-nitrobenzene Chemical and Physical Properties
Names and Identifiers
-
- 1,2-DICHLORO-4-FLUORO-5-NITROBENZENE
- 4,5-Dichloro-2-fluoronitrobenzene
- C6H2Cl2FNO2
- 1,2-dichloro-4-fluoro-5-nitro-benzene
- 1,2-dichloro-5-fluoro-4-nitrobenzene
- 2-fluoro-4,5-dichloronitrobenzene
- 3,4-dichloro-6-fluoronitrobenzene
- 4,5-dichloro-1-fluoro-2-nitrobenzene
- Benzene,1,2-dichloro-4-fluoro-5-nitro
- 3,4-Dichloro-2-fluoro-1-nitrobenzene
- Benzene, 1,2-dichloro-4-fluoro-5-nitro-
- FXOCDIKCKFOUDE-UHFFFAOYSA-N
- 1,2-ichloro-4-luoro-5-itro-benzene
- 4,5-dichloro-2-fluoro-1-nitrobenzene
- PubChem4385
- KSC201K5P
- WT227
- SBB063959
- AM61854
- CM12210
- TRA0020055
- AS01565
- 2339-78-8
- 1,2-Dichloro-4-fluoro-5-nitrobenzene, 95%
- A20576
- AC-9707
- SY014946
- AKOS015850065
- DTXSID90336466
- EN300-152728
- DS-14272
- D4694
- FT-0600881
- MFCD00075330
- SCHEMBL123793
- CS-W015130
- DTXCID40287555
- DB-005620
- 607-228-5
- 1,2-Dichloro-4-fluoro-5-nitrobenzene
-
- MDL： MFCD00075330
- Inchi： 1S/C6H2Cl2FNO2/c7-3-1-5(9)6(10(11)12)2-4(3)8/h1-2H
- InChI Key： FXOCDIKCKFOUDE-UHFFFAOYSA-N
- SMILES： ClC1=C(C=C(C(=C1)[N+](=O)[O-])F)Cl
Computed Properties
- Exact Mass: 208.94500
- Monoisotopic Mass: 208.945
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 187
- 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: 3
- Topological Polar Surface Area: 45.8
Experimental Properties
- Color/Form: Not determined
- Density: 1.596?g/mL?at 25?°C(lit.)
- Melting Point: 17?°C (lit.)
- Boiling Point: 247?°C(lit.)
- Flash Point: Degrees Fahrenheit:235.4°F
Degrees Celsius:113°C - Refractive Index: n20/D 1.575(lit.)
- PSA: 45.82000
- LogP: 3.56390
- Solubility: Not determined
1,2-Dichloro-4-fluoro-5-nitrobenzene Security Information
-
Symbol:
- Prompt：warning
- Signal Word：Warning
- Hazard Statement： H302,H312,H315,H319,H332,H335
- Warning Statement： P261,P280,P305+P351+P338
- Hazardous Material transportation number：NONH for all modes of transport
- WGK Germany：3
- Hazard Category Code： 20/21/22-36/37/38
- Safety Instruction： S26-S37/39
-
Hazardous Material Identification：
- Risk Phrases：R20/21/22; R36/37/38
- Safety Term：S26;S37/39
1,2-Dichloro-4-fluoro-5-nitrobenzene 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%
1,2-Dichloro-4-fluoro-5-nitrobenzene Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| XI GE MA AO DE LI QI （ SHANG HAI ） MAO YI Co., Ltd. | 345660-5G |
1,2-Dichloro-4-fluoro-5-nitrobenzene |
2339-78-8 | 95% | 5G |
￥757.2 | 2022-02-24 | |
| A FA AI SHA ， SAI MO FEI SHI ER KE JI QI XIA GONG SI | H64782-5g |
1,2-Dichloro-4-fluoro-5-nitrobenzene, 95% |
2339-78-8 | 95% | 5g |
￥716.00 | 2023-03-01 | |
| A FA AI SHA ， SAI MO FEI SHI ER KE JI QI XIA GONG SI | H64782-25g |
1,2-Dichloro-4-fluoro-5-nitrobenzene, 95% |
2339-78-8 | 95% | 25g |
￥2139.00 | 2023-03-01 | |
| A FA AI SHA ， SAI MO FEI SHI ER KE JI QI XIA GONG SI | H64782-100g |
1,2-Dichloro-4-fluoro-5-nitrobenzene, 95% |
2339-78-8 | 95% | 100g |
￥6119.00 | 2023-03-01 | |
| TRC | D437168-100mg |
1,2-Dichloro-4-fluoro-5-nitrobenzene |
2339-78-8 | 100mg |
$64.00 | 2023-05-18 | ||
| TRC | D437168-250mg |
1,2-Dichloro-4-fluoro-5-nitrobenzene |
2339-78-8 | 250mg |
$75.00 | 2023-05-18 | ||
| TRC | D437168-500mg |
1,2-Dichloro-4-fluoro-5-nitrobenzene |
2339-78-8 | 500mg |
$87.00 | 2023-05-18 | ||
| TRC | D437168-1g |
1,2-Dichloro-4-fluoro-5-nitrobenzene |
2339-78-8 | 1g |
$ 80.00 | 2022-06-05 | ||
| Apollo Scientific | PC8376-5g |
4,5-Dichloro-2-fluoronitrobenzene |
2339-78-8 | 98% | 5g |
￡10.00 | 2024-05-25 | |
| Apollo Scientific | PC8376-25g |
4,5-Dichloro-2-fluoronitrobenzene |
2339-78-8 | 98% | 25g |
￡12.00 | 2024-05-25 |
1,2-Dichloro-4-fluoro-5-nitrobenzene Suppliers
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Additional information on 1,2-Dichloro-4-fluoro-5-nitrobenzene
1,2-Dichloro-4-fluoro-5-nitrobenzene (CAS No. 2339-78-8)
1,2-Dichloro-4-fluoro-5-nitrobenzene, also known by its CAS registry number CAS No. 2339-78-8, is a highly substituted aromatic compound with a benzene ring containing chlorine, fluorine, and nitro groups at specific positions. This compound is of significant interest in the fields of organic chemistry, materials science, and pharmacology due to its unique electronic properties and potential applications in drug design and advanced materials.
The structure of 1,2-dichloro-4-fluoro-5-nitrobenzene consists of a benzene ring with chlorine atoms at positions 1 and 2, a fluorine atom at position 4, and a nitro group (-NO?) at position 5. The presence of these electronegative substituents significantly influences the electronic characteristics of the molecule. Chlorine and fluorine atoms are electron-withdrawing groups due to their high electronegativity, while the nitro group is a strong electron-withdrawing group that further enhances the electrophilic nature of the aromatic ring. This combination makes the compound highly reactive in certain chemical reactions, particularly those involving electrophilic substitution.
Recent studies have explored the use of 1,2-dichloro-4-fluoro-5-nitrobenzene as a precursor in the synthesis of heterocyclic compounds and bioactive molecules. For instance, researchers have utilized this compound to construct quinoline derivatives, which are known for their potential as anticancer agents. The high reactivity of the compound allows for efficient substitution reactions under mild conditions, making it a valuable intermediate in organic synthesis.
In terms of physical properties, CAS No. 2339-78-8 is typically a crystalline solid with a melting point around 150°C. It is sparingly soluble in water but dissolves well in organic solvents such as dichloromethane and ethyl acetate. The compound exhibits UV absorption characteristics that make it suitable for applications in optoelectronic materials. Recent advancements in computational chemistry have enabled detailed studies of its electronic structure using density functional theory (DFT), providing insights into its reactivity and potential uses.
The synthesis of 1,2-dichloro-4-fluoro-5-nitrobenzene involves multi-step processes that typically start with chlorination or fluorination of an aromatic ring followed by nitration. The exact synthesis pathway depends on the desired regioselectivity and yield. Modern methods often employ catalytic systems or microwave-assisted synthesis to optimize reaction conditions and minimize side products.
In pharmacology, derivatives of CAS No. 2339-78-8 have shown promise as inhibitors of certain enzymes involved in cancer progression. For example, studies published in recent years demonstrate that substituted benzene derivatives with electron-withdrawing groups can modulate kinase activity, potentially leading to novel therapeutic agents.
The environmental impact and degradation pathways of 1,2-dichloro-4-fluoro-5-nitrobenzene are also areas of active research. Due to its stability under standard conditions, the compound may persist in certain environments unless subjected to specific degradation mechanisms such as microbial action or photolysis.
In conclusion, CAS No. 2339-78-8, or 1,2-dichloro-4-fluoro-5-nitrobenzene, is a versatile compound with diverse applications across multiple scientific disciplines. Its unique chemical properties make it an invaluable tool in organic synthesis and materials science while ongoing research continues to uncover new potential uses in pharmacology and environmental chemistry.
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