Cas no 456-19-9 (4-Fluorobenzal Chloride)
4-Fluorobenzal Chloride Chemical and Physical Properties
Names and Identifiers
-
- 1-(Dichloromethyl)-4-fluorobenzene
- 4-Fluorobenzal Chloride
- Benzene,1-(dichloromethyl)-4-fluoro-
- 4-Fluorobenzalchloride
- Benzene, 1-(dichloromethyl)-4-fluoro-
- 1-[bis(chloranyl)methyl]-4-fluoranyl-benzene
- NSC60716
- p-Fluorobenzalchloride
- P-FLUOROBENZAL CHLORIDE
- MFIOEEWGBMJNGG-UHFFFAOYSA-
- PC3444C
- MFIOEEWGBMJNGG-UHFFFAOYSA-N
- SBB089501
- 1-(Dichloromethyl)-4
- SCHEMBL6903910
- A872352
- W-106122
- CQ3Q39MJ4G
- InChI=1/C7H5Cl2F/c8-7(9)5-1-3-6(10)4-2-5/h1-4,7H
- BS-44048
- SY036853
- FT-0622088
- DTXSID50196563
- NSC-60716
- F0315
- EINECS 207-258-5
- 2-BROMO-6-BENZOTHIAZOLAMINE
- NS00043596
- NSC 60716
- AKOS022172860
- 1-Dichloromethyl-4-fluorobenzene
- 1-(Dichloromethyl)-4-fluorobenzene #
- 4-Fluorobenzal chloride???
- 456-19-9
- MFCD00000832
- 1-(Dichloromethyl)-4-fluorobenzene, alpha,alpha-Dichloro-4-fluorotoluene
- DB-051324
-
- MDL: MFCD00000832
- Inchi: 1S/C7H5Cl2F/c8-7(9)5-1-3-6(10)4-2-5/h1-4,7H
- InChI Key: MFIOEEWGBMJNGG-UHFFFAOYSA-N
- SMILES: ClC(C1C=CC(=CC=1)F)Cl
Computed Properties
- Exact Mass: 177.97500
- Monoisotopic Mass: 177.9752337g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 97.8
- 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: 3.1
- Topological Polar Surface Area: 0
Experimental Properties
- Color/Form: Not determined
- Density: 1.348(lit.)
- Boiling Point: 83°C/15mmHg
- Flash Point: 90℃(lit.)
- Refractive Index: n20/D 1.528(lit.)
- PSA: 0.00000
- LogP: 3.30190
- Solubility: Not determined
- Sensitiveness: Lachrymatory
4-Fluorobenzal Chloride Security Information
-
Symbol:
- Prompt:dangerous
- Hazard Statement: H227-H302+H332-H314-H341
- Warning Statement: P201-P202-P210-P260-P264-P270-P271-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P308+P313-P403+P235-P405-P501
- Hazardous Material transportation number:UN 3265 8/PG 2
- WGK Germany:1
- Hazard Category Code: 20/21/22-34-36/37
- Safety Instruction: S26; S27; S36/37/39; S45
- FLUKA BRAND F CODES:19
-
Hazardous Material Identification:
- Safety Term:8
- Packing Group:III
- Risk Phrases:R20/21/22
- Packing Group:III
- Hazard Level:8
- HazardClass:8
- PackingGroup:III
4-Fluorobenzal Chloride Customs Data
- HS CODE:2903999090
- Customs Data:
China Customs Code:
2903999090Overview:
2903999090 Other aromatic halogenated 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
Summary:
2903999090 halogenated derivatives of aromatic hydrocarbons VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%
4-Fluorobenzal Chloride Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Fluorochem | 009192-100g |
4-Fluorobenzal chloride |
456-19-9 | 95% | 100g |
£160.00 | 2022-02-28 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | F156706-25G |
4-Fluorobenzal Chloride |
456-19-9 | >95.0%(GC) | 25G |
¥514.00 | 2021-05-24 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | F156706-5g |
4-Fluorobenzal Chloride |
456-19-9 | 95% | 5g |
¥237.90 | 2023-09-02 | |
| Fluorochem | 009192-25g |
4-Fluorobenzal chloride |
456-19-9 | 95% | 25g |
£54.00 | 2022-02-28 | |
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | D862741-25g |
1-(Dichloromethyl)-4-fluorobenzene |
456-19-9 | ≥95%(GC) | 25g |
462.60 | 2021-05-17 | |
| TRC | F598163-250mg |
4-Fluorobenzal Chloride |
456-19-9 | 250mg |
$ 64.00 | 2023-09-07 | ||
| TRC | F598163-500mg |
4-Fluorobenzal Chloride |
456-19-9 | 500mg |
$ 81.00 | 2023-09-07 | ||
| TRC | F598163-2.5g |
4-Fluorobenzal Chloride |
456-19-9 | 2.5g |
$ 98.00 | 2023-09-07 | ||
| Apollo Scientific | PC3444C-25g |
4-Fluorobenzal chloride |
456-19-9 | 98% | 25g |
£60.00 | 2024-05-25 | |
| TI XI AI ( SHANG HAI ) HUA CHENG GONG YE FA ZHAN Co., Ltd. | F0315-25G |
4-Fluorobenzal Chloride |
456-19-9 | >95.0%(GC) | 25g |
¥560.00 | 2023-09-08 |
4-Fluorobenzal Chloride Related Literature
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
-
Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
-
Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
-
Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
-
Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
Additional information on 4-Fluorobenzal Chloride
Introduction to 4-Fluorobenzal Chloride (CAS No. 456-19-9)
4-Fluorobenzal Chloride, identified by the chemical compound code CAS No. 456-19-9, is a fluorinated aromatic aldehyde chloride that has garnered significant attention in the field of pharmaceutical and chemical research. This compound serves as a crucial intermediate in the synthesis of various pharmacologically active molecules, particularly in the development of novel therapeutic agents targeting neurological and inflammatory disorders. The presence of both a fluorine substituent and an aldehyde chloride functionality imparts unique reactivity, making it a valuable building block for medicinal chemists.
The structural motif of 4-Fluorobenzal Chloride consists of a benzene ring substituted with a fluorine atom at the para position relative to the aldehyde chloride group. This specific arrangement enhances its utility in organic synthesis due to the electron-withdrawing nature of the fluorine atom, which influences the electronic properties of the aromatic system. The aldehyde chloride moiety, on the other hand, is highly reactive and participates in nucleophilic addition reactions, enabling the formation of diverse heterocyclic compounds.
In recent years, 4-Fluorobenzal Chloride has been extensively explored in the synthesis of small-molecule inhibitors for kinases and other enzyme targets. For instance, studies have demonstrated its role in constructing fluorinated benzaldehyde derivatives that exhibit potent inhibitory activity against cyclin-dependent kinases (CDKs). These kinases are key regulators of cell cycle progression and are implicated in various cancers. The incorporation of a fluorine atom into these inhibitors often enhances metabolic stability and binding affinity, attributes that are critical for drug development.
Moreover, 4-Fluorobenzal Chloride has found application in the preparation of fluorinated Schiff bases, which are Schiff bases (imines) featuring a fluorine atom within their structure. These compounds have shown promise as antioxidants, anti-inflammatory agents, and antimicrobial agents. The fluorine substituent contributes to their bioactivity by modulating electronic distributions and influencing interactions with biological targets. Recent research has highlighted the synthesis of novel fluorinated Schiff bases derived from 4-Fluorobenzal Chloride, which exhibit significant therapeutic potential in preclinical models.
The pharmaceutical industry has also leveraged 4-Fluorobenzal Chloride in the development of antiviral and antibacterial agents. The unique electronic properties of the fluorinated aromatic ring facilitate the design of molecules that can interact selectively with viral proteases or bacterial enzymes. For example, derivatives of 4-Fluorobenzal Chloride have been investigated as inhibitors of HIV protease, a critical enzyme in viral replication. The ability to fine-tune electronic effects through fluorination allows for the optimization of drug candidates with improved pharmacokinetic profiles.
From a synthetic chemistry perspective, 4-Fluorobenzal Chloride is valued for its versatility in constructing complex molecular frameworks. It serves as a precursor for introducing both aldehyde and leaving group functionalities into organic molecules. This dual reactivity makes it an indispensable tool for medicinal chemists seeking to develop novel scaffolds with enhanced binding affinity and selectivity. Techniques such as palladium-catalyzed cross-coupling reactions have been employed to further diversify derivatives derived from 4-Fluorobenzal Chloride, expanding its utility in drug discovery campaigns.
Recent advancements in computational chemistry have also underscored the importance of 4-Fluorobenzal Chloride in rational drug design. Molecular modeling studies have revealed how fluorination at the para position affects protein-ligand interactions, providing insights into structure-activity relationships (SAR). These computational approaches have guided experimental efforts to optimize lead compounds derived from 4-Fluorobenzal Chloride, accelerating the transition from laboratory-scale synthesis to clinical development.
The agrochemical sector has not been left out either, as 4-Fluorobenzal Chloride contributes to the synthesis of advanced crop protection agents. Fluorinated aromatic compounds are known for their improved stability under environmental conditions, making them suitable for developing pesticides with prolonged efficacy. Research has demonstrated that derivatives of 4-Fluorobenzal Chloride exhibit herbicidal and insecticidal properties, offering new solutions to agricultural challenges while maintaining environmental safety standards.
In conclusion, 4-Fluorobenzal Chloride (CAS No. 456-19-9) represents a cornerstone compound in modern chemical synthesis and pharmaceutical innovation. Its unique structural features enable diverse applications across multiple disciplines, from drug discovery to agrochemical development. As research continues to uncover new synthetic methodologies and biological targets, the significance of this compound is expected to grow further, solidifying its role as an essential intermediate in advanced chemical manufacturing.
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