Cas no 5509-65-9 (2,6-Difluoroaniline)
2,6-Difluoroaniline Chemical and Physical Properties
Names and Identifiers
-
- 2,6-Difluoroaniline
- 2,6-Difluorobenzenamine
- Difluoroaniline
- 2.6-Difluoroaniline
- 2,5-DIFLUORO-3-NITROBENZOPHENONE
- 2,6-difluoro-aniline
- 2,6-DifluorobenzeneaMine
- 2,6-DifluorophenylaMine
- 2,6-Difuluoroaniline
- 2,6-Difuluorobenzenamine
- 6-Difluoroaniline
- Benzenamine, 2,6-difluoro-
- 2,6-Difluoro-phenylamine
- ODUZJBKKYBQIBX-UHFFFAOYSA-N
- 2,6-difluoranilin
- NSC127234
- 2,6 difluoroaniline
- 2,6-diflouroaniline
- PubChem4034
- 2,6-difluoro aniline
- 2,6-di-Fluoroaniline
- 2,6-difluorophenyl amine
- 2,6 - difluoro aniline
- (2,6-difluorophenyl)amine
- FT-0610644
- F0001-1445
- AM20040700
- 943G3H8895
- D1635
- MFCD00007655
- NSC-127234
- CS-W020001
- NSC 127234
- DTXSID2073350
- PS-9157
- InChI=1/C6H5F2N/c7-4-2-1-3-5(8)6(4)9/h1-3H,9H
- AKOS000119497
- NS00043705
- 2,6-Difluoroaniline, >=97%
- SCHEMBL113475
- Z104476070
- 5509-65-9
- W-105588
- EN300-19913
- UNII-943G3H8895
- A19486
- EINECS 226-853-0
- DTXCID7041835
- 2,6-Difluorobenzenamine; 2,6-Difluorobenzeneamine; 2,6-Difluorophenylamine; NSC 127234;
- STK802226
- BBL027652
- DB-027682
-
- MDL: MFCD00007655
- Inchi: 1S/C6H5F2N/c7-4-2-1-3-5(8)6(4)9/h1-3H,9H2
- InChI Key: ODUZJBKKYBQIBX-UHFFFAOYSA-N
- SMILES: FC1C=CC=C(C=1N)F
- BRN: 2802697
Computed Properties
- Exact Mass: 129.03900
- Monoisotopic Mass: 129.039006
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 9
- Rotatable Bond Count: 0
- Complexity: 87.1
- 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: 1.4
- Topological Polar Surface Area: 26
Experimental Properties
- Color/Form: Yellow liquid
- Density: 1.199?g/mL?at 25?°C(lit.)
- Melting Point: 144-148C
- Boiling Point: 154°C(lit.)
- Flash Point: Degrees Fahrenheit:123.8°F
Degrees Celsius:51°C - Refractive Index: n20/D 1.508(lit.)
- Water Partition Coefficient: Slightly soluble in water.
- PSA: 26.02000
- LogP: 2.12820
- Solubility: Not determined
2,6-Difluoroaniline Security Information
-
Symbol:
- Prompt:dangerous
- Signal Word:Warning
- Hazard Statement: H226,H302,H312,H317,H332
- Warning Statement: P280
- Hazardous Material transportation number:UN 1993 3/PG 3
- WGK Germany:3
- Hazard Category Code: 10-20/21/22
- Safety Instruction: S36-S36/37/39-S26-S23-S16-S16/23/26/36/37/39
- FLUKA BRAND F CODES:8-10-23
-
Hazardous Material Identification:
- HazardClass:3
- PackingGroup:III
- Storage Condition:Store at room temperature
- Risk Phrases:R10; R20/21/22; R36/37/38
- Packing Group:III
- Safety Term:3
- Packing Group:III
- Hazard Level:3
2,6-Difluoroaniline Customs Data
- HS CODE:2942000000
- Customs Data:
China Customs Code:
2921420090Overview:
2921420090 Other aniline derivatives and their salts. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%
Declaration elements:
Product Name, component content, use to
Summary:
HS:2921420090 aniline derivatives and their salts VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%
2,6-Difluoroaniline Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | D1635-25g |
2,6-Difluoroaniline |
5509-65-9 | 97.0%(GC) | 25g |
¥790.0 | 2022-06-10 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | D1635-5g |
2,6-Difluoroaniline |
5509-65-9 | 97.0%(GC) | 5g |
¥230.0 | 2022-06-10 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | D316A-25g |
2,6-Difluoroaniline |
5509-65-9 | 97% | 25g |
¥54.0 | 2022-06-10 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | D316A-5g |
2,6-Difluoroaniline |
5509-65-9 | 97% | 5g |
¥32.0 | 2022-06-10 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | D316A-100g |
2,6-Difluoroaniline |
5509-65-9 | 97% | 100g |
¥194.0 | 2022-06-10 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | D1635-100g |
2,6-Difluoroaniline |
5509-65-9 | 98.0%(GC) | 100g |
¥2040.0 | 2022-06-10 | |
| Fluorochem | 001458-25g |
2,6-Difluoroaniline |
5509-65-9 | 97% | 25g |
£12.00 | 2022-03-29 | |
| Fluorochem | 001458-100g |
2,6-Difluoroaniline |
5509-65-9 | 97% | 100g |
£25.00 | 2022-03-29 | |
| Fluorochem | 001458-500g |
2,6-Difluoroaniline |
5509-65-9 | 97% | 500g |
£120.00 | 2022-03-29 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | D109435-100g |
2,6-Difluoroaniline |
5509-65-9 | 97% | 100g |
¥178.90 | 2023-09-03 |
2,6-Difluoroaniline Suppliers
2,6-Difluoroaniline Related Literature
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Martin G?rtner,Helmar G?rls,Matthias Westerhausen Dalton Trans. 2008 1574
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L. Di Nunno,S. Florio,P. E. Todesco J. Chem. Soc. C 1970 1433
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Damian E. Yerien,Al Postigo,Massimo Baroncini,Sebastián Barata-Vallejo Green Chem. 2021 23 8147
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Damian E. Yerien,Al Postigo,Massimo Baroncini,Sebastián Barata-Vallejo Green Chem. 2021 23 8147
-
Damian E. Yerien,Al Postigo,Massimo Baroncini,Sebastián Barata-Vallejo Green Chem. 2021 23 8147
Additional information on 2,6-Difluoroaniline
Introduction to 2,6-Difluoroaniline (CAS No: 5509-65-9)
2,6-Difluoroaniline, with the chemical formula C?H?F?N, is a fluorinated aromatic amine that has garnered significant attention in the field of pharmaceutical and materials science due to its unique structural and electronic properties. This compound, identified by its CAS number 5509-65-9, serves as a versatile intermediate in the synthesis of various advanced materials and bioactive molecules. Its molecular structure, featuring two fluorine atoms substituting at the 2 and 6 positions of an aniline ring, imparts distinct reactivity and stability, making it a valuable building block in modern chemical synthesis.
The significance of 2,6-difluoroaniline lies in its broad applicability across multiple domains. In pharmaceutical research, this compound has been explored as a precursor in the development of novel therapeutic agents. The presence of fluorine atoms enhances the metabolic stability and binding affinity of drug candidates, which is a critical factor in medicinal chemistry. Recent studies have highlighted its role in synthesizing kinase inhibitors and antimicrobial compounds, where the electron-withdrawing nature of fluorine atoms plays a pivotal role in modulating biological activity.
In materials science, 2,6-difluoroaniline is utilized in the fabrication of organic semiconductors and liquid crystal displays (LCDs). The fluorinated aromatic ring contributes to improved thermal stability and charge transport properties, making it an ideal candidate for high-performance electronic devices. Furthermore, its fluorescence characteristics have been leveraged in the development of luminescent materials for sensors and optoelectronic applications.
The synthesis of 2,6-difluoroaniline typically involves fluorination reactions on aniline derivatives. Advanced methods such as electrochemical fluorination and transition-metal-catalyzed cross-coupling reactions have been optimized to achieve high yields and selectivity. These synthetic pathways not only highlight the compound's industrial relevance but also showcase the progress in green chemistry approaches, reducing waste and energy consumption.
Recent advancements in computational chemistry have further illuminated the potential of 2,6-difluoroaniline. Molecular modeling studies suggest that its structure can be fine-tuned to enhance specific properties for targeted applications. For instance, computational analysis has revealed that introducing additional substituents at strategic positions can modulate its solubility and reactivity, opening new avenues for drug design.
The environmental impact of using 2,6-difluoroaniline has also been a focus of research. Efforts to develop sustainable synthetic routes aim to minimize hazardous byproducts while maintaining efficiency. Biocatalytic methods are being explored as alternatives to traditional chemical processes, aligning with global efforts to promote eco-friendly chemistry.
In conclusion, 2,6-difluoroaniline (CAS No: 5509-65-9) is a multifaceted compound with far-reaching implications in pharmaceuticals and materials science. Its unique structural features enable diverse applications, from drug development to advanced electronics. As research continues to uncover new possibilities, this compound is poised to remain at the forefront of chemical innovation.
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