Cas no 345-83-5 (4-Fluorobenzophenone)
4-Fluorobenzophenone Chemical and Physical Properties
Names and Identifiers
-
- 4-fluorobenzophenone
- (4-FLUOROPHENYL)(PHENYL)METHANONE
- P-FLUOROBENZOPHENONE
- RARECHEM AM UC 0605
- Methanone, (4-fluorophenyl)phenyl-
- 4-Fluoro-Benzophenon
- Para-Fluorobenzophenone
- 4-Fluorophenylphenyl ketone
- (4-fluorophenyl)-phenylmethanone
- (4-fluoro-phenyl)-phenyl-methanone
- 4'-fluorobenzophenone
- (4-Fluorophenyl)phenyl-methanone
- 4-fluorophenyl phenyl ketone
- OGTSHGYHILFRHD-UHFFFAOYSA-N
- Q63398308
- p-Fluorbenzophenon
- PubChem3308
- 4-fluoro-benzophenone
- Maybridge4_003548
- Benzophenone, 4-fluoro-
- NCIOpen2_001224
- KSC497S1D
- BCP26357
- p-Fluorophenyl phenyl ketone
- 345-83-5
- AKOS000118864
- (4-Fluorophenyl)(phenyl)methanone #
- HMS1531B06
- EINECS 206-463-7
- 4-Fluorobenzophenone, 97%
- NSC-88321
- W-106723
- NSC 88321
- A16050
- UNII-JKA6JRZ9CD
- DTXSID00188059
- F0161
- SY048330
- AS-10881
- AC9763
- SCHEMBL251921
- NSC88321
- CS-0130360
- BRD-K22255991-001-01-8
- NS00041419
- FT-0618513
- InChI=1/C13H9FO/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9
- (4-Fluorophenyl)phenylmethanone
- JKA6JRZ9CD
- MFCD00000352
- CCG-245108
- EN300-19553
- DB-069036
- 206-463-7
- DTXCID80110550
- FF12143
- 4-Fluorobenzophenone
-
- MDL: MFCD00000352
- Inchi: 1S/C13H9FO/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9H
- InChI Key: OGTSHGYHILFRHD-UHFFFAOYSA-N
- SMILES: FC1C=CC(=CC=1)C(C1C=CC=CC=1)=O
- BRN: 1869800
Computed Properties
- Exact Mass: 200.06400
- Monoisotopic Mass: 200.064
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 213
- 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: 3.5
- Topological Polar Surface Area: 17.1
Experimental Properties
- Color/Form: Not available
- Density: 1.1871 (estimate)
- Melting Point: 47.0 to 50.0 deg-C
- Boiling Point: 161°C/13mmHg(lit.)
- Flash Point: Degrees Fahrenheit:235.4°F
Degrees Celsius:113°C - Refractive Index: 1.566
- PSA: 17.07000
- LogP: 3.05670
- Solubility: Not available
4-Fluorobenzophenone Security Information
-
Symbol:
- Prompt:warning
- Signal Word:Warning
- Hazard Statement: H315-H319
- Warning Statement: P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
- Hazardous Material transportation number:NONH for all modes of transport
- WGK Germany:3
- Hazard Category Code: 36/37/38
- Safety Instruction: S26-S37/39-S24/25
-
Hazardous Material Identification:
- HazardClass:IRRITANT
- Storage Condition:Store at room temperature
- Safety Term:S24/25
- Risk Phrases:R36/37/38
4-Fluorobenzophenone Customs Data
- HS CODE:2914700090
- Customs Data:
China Customs Code:
2914700090Overview:
2914700090 Halogenation of other ketones and quinones\Sulfonated derivative(Including nitrated and nitrosative derivatives). 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, Acetone declared packaging
Summary:
HS: 2914700090 halogenated, sulphonated, nitrated or nitrosated derivatives of ketones and quinones, whether or not with other oxygen function Tax rebate rate:9.0% Supervision conditions:none VAT:17.0% MFN tariff:5.5% General tariff:30.0%
4-Fluorobenzophenone Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Fluorochem | 003845-1g |
4-Fluorobenzophenone |
345-83-5 | 97% | 1g |
£10.00 | 2022-03-01 | |
| Fluorochem | 003845-25g |
4-Fluorobenzophenone |
345-83-5 | 97% | 25g |
£12.00 | 2022-03-01 | |
| Fluorochem | 003845-100g |
4-Fluorobenzophenone |
345-83-5 | 97% | 100g |
£20.00 | 2022-03-01 | |
| Fluorochem | 003845-250g |
4-Fluorobenzophenone |
345-83-5 | 97% | 250g |
£44.00 | 2022-03-01 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | F156636-5G |
4-Fluorobenzophenone |
345-83-5 | >99.0% | 5g |
¥29.90 | 2023-09-02 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | F156636-500g |
4-Fluorobenzophenone |
345-83-5 | >99.0% | 500g |
¥522.90 | 2023-09-02 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | F156636-25G |
4-Fluorobenzophenone |
345-83-5 | >99.0% | 25g |
¥73.90 | 2023-09-02 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | F156636-250g |
4-Fluorobenzophenone |
345-83-5 | >99.0% | 250g |
¥326.90 | 2023-09-02 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | F156636-100g |
4-Fluorobenzophenone |
345-83-5 | >99.0% | 100g |
¥234.90 | 2023-09-02 | |
| TRC | F588580-25g |
4-Fluorobenzophenone |
345-83-5 | 25g |
$ 52.00 | 2023-09-07 |
4-Fluorobenzophenone Suppliers
4-Fluorobenzophenone Related Literature
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Xiancheng Nie,Tao Wang,Wenhuan Huang,Hao Su,Biao Chen,Xuepeng Zhang,Guoqing Zhang J. Mater. Chem. C 2021 9 15698
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Chun-Ting Li,Yi-Ling Kuo,CH. Pavan Kumar,Pei-Ting Huang,Jiann T. Lin J. Mater. Chem. A 2019 7 23225
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Bibian Okokhere-Edeghoghon,Michael S. Hill,Mary F. Mahon,Claire L. McMullin Chem. Commun. 2022 58 10711
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4. The sensitized emission of Eu3+ and Tb3+ by 4-fluorobenzophenone confined in zeolite L microcrystalsYanxia Ding,Yige Wang,Yanni Li,Pengpeng Cao,Tiezhen Ren Photochem. Photobiol. Sci. 2011 10 543
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Haiyan Tian,Dongyu Li,Xi Tang,Yubo Zhang,Zhiyong Yang,Jun Qian,Yong Qiang Dong,Mei Han Mater. Chem. Front. 2020 4 1634
Additional information on 4-Fluorobenzophenone
4-Fluorobenzophenone (CAS No. 345-83-5): A Versatile Intermediate in Modern Chemical Synthesis and Pharmaceutical Development
4-Fluorobenzophenone, with the chemical formula C13H8FO and CAS number 345-83-5, is a fluorinated aromatic ketone that has garnered significant attention in the fields of organic chemistry, pharmaceutical research, and material science. This compound serves as a crucial intermediate in the synthesis of various bioactive molecules, including pharmaceuticals and advanced materials. Its unique structural features, particularly the presence of a fluorine atom at the para position relative to the benzophenone core, contribute to its remarkable reactivity and utility in synthetic transformations.
The significance of 4-Fluorobenzophenone lies in its ability to participate in a wide range of chemical reactions, making it an invaluable building block for constructing complex molecular architectures. One of the most notable reactions involving this compound is its use in cross-coupling reactions, such as Suzuki-Miyaura and Buchwald-Hartwig couplings, which are fundamental to the synthesis of biaryl compounds. These biaryl structures are prevalent in many pharmacologically active agents, including kinase inhibitors and antiviral drugs.
In recent years, the pharmaceutical industry has seen a surge in the development of fluorinated compounds due to their enhanced metabolic stability, improved binding affinity, and altered pharmacokinetic profiles. 4-Fluorobenzophenone plays a pivotal role in this trend by serving as a precursor for synthesizing fluorinated derivatives that exhibit improved therapeutic efficacy. For instance, studies have demonstrated its utility in generating novel antitumor agents by incorporating fluorine atoms into heterocyclic scaffolds. The electron-withdrawing nature of the fluorine atom can modulate the electronic properties of adjacent functional groups, thereby fine-tuning the biological activity of the final product.
The application of 4-Fluorobenzophenone extends beyond pharmaceuticals into the realm of materials science. Its incorporation into polymer matrices enhances thermal stability and optical properties, making it suitable for use in high-performance coatings and electronic materials. Additionally, researchers have explored its potential in photodynamic therapy (PDT) due to its ability to form stable metal complexes that can generate reactive oxygen species upon irradiation with light.
The synthesis of 4-Fluorobenzophenone typically involves the fluorination of benzophenone using various fluorinating agents such as Selectfluor? or DAST (diethylaminosulfur trifluoride). These methods allow for regioselective introduction of fluorine at the para position, which is critical for maintaining the desired reactivity and functionality. Advances in catalytic systems have further refined these processes, enabling more efficient and environmentally benign synthetic routes.
The impact of 4-Fluorobenzophenone on drug discovery is exemplified by its role in developing kinase inhibitors. Kinases are enzymes involved in numerous cellular processes, and their dysregulation is often associated with cancer and inflammatory diseases. By leveraging the structural versatility of 4-Fluorobenzophenone, researchers have been able to design inhibitors that selectively target specific kinases with high potency and selectivity. For example, derivatives of this compound have shown promising activity against tyrosine kinases, which are key players in tumor growth and angiogenesis.
In conclusion, 4-Fluorobenzophenone (CAS No. 345-83-5) is a multifaceted compound with broad applications across multiple scientific disciplines. Its unique structural attributes make it an indispensable tool for synthetic chemists working on pharmaceuticals and advanced materials. As research continues to uncover new methodologies and applications, the importance of this compound is expected to grow even further, driving innovation in both academic research and industrial development.
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