Cas no 1349719-19-2 (3,4-Dichloro-5-fluorobenzonitrile)
3,4-Dichloro-5-fluorobenzonitrile Chemical and Physical Properties
Names and Identifiers
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- 3,4-Dichloro-5-fluorobenzonitrile
- Benzonitrile, 3,4-dichloro-5-fluoro-
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- MDL: MFCD20233033
- Inchi: 1S/C7H2Cl2FN/c8-5-1-4(3-11)2-6(10)7(5)9/h1-2H
- InChI Key: WYOMVONBBWJBHB-UHFFFAOYSA-N
- SMILES: C(#N)C1=CC(F)=C(Cl)C(Cl)=C1
Computed Properties
- Exact Mass: 188.9548326g/mol
- Monoisotopic Mass: 188.9548326g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 188
- 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
- XLogP3: 3
- Topological Polar Surface Area: 23.8?2
Experimental Properties
- Density: 1.5±0.1 g/cm3
- Boiling Point: 229.7±35.0 °C at 760 mmHg
- Flash Point: 92.7±25.9 °C
- Vapor Pressure: 0.1±0.5 mmHg at 25°C
3,4-Dichloro-5-fluorobenzonitrile Security Information
- Signal Word:warning
- Hazard Statement: H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
- Warning Statement: P264+P280+P305+P351+P338+P337+P313
- Safety Instruction: H303+H313+H333
- Storage Condition:storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)
3,4-Dichloro-5-fluorobenzonitrile Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Fluorochem | 044849-1g |
3,4-Dichloro-5-fluorobenzonitrile |
1349719-19-2 | 95% | 1g |
£305.00 | 2022-03-01 | |
| Oakwood | 044849-1g |
3,4-Dichloro-5-fluorobenzonitrile |
1349719-19-2 | 95% | 1g |
$325.00 | 2024-07-19 | |
| eNovation Chemicals LLC | Y1233817-1g |
3,4-Dichloro-5-fluorobenzonitrile |
1349719-19-2 | 95% | 1g |
$595 | 2024-06-05 | |
| Ambeed | A777299-1g |
3,4-Dichloro-5-fluorobenzonitrile |
1349719-19-2 | 97% | 1g |
$349.0 | 2024-04-24 | |
| eNovation Chemicals LLC | Y1233817-250mg |
3,4-Dichloro-5-fluorobenzonitrile |
1349719-19-2 | 95% | 250mg |
$320 | 2025-02-25 | |
| eNovation Chemicals LLC | Y1233817-1g |
3,4-Dichloro-5-fluorobenzonitrile |
1349719-19-2 | 95% | 1g |
$680 | 2025-02-25 | |
| 1PlusChem | 1P01FEV0-1g |
3,4-Dichloro-5-fluorobenzonitrile |
1349719-19-2 | 95% | 1g |
$368.00 | 2023-12-22 | |
| A2B Chem LLC | AX97916-1g |
3,4-Dichloro-5-fluorobenzonitrile |
1349719-19-2 | 95% | 1g |
$325.00 | 2024-04-20 | |
| eNovation Chemicals LLC | Y1233817-250mg |
3,4-Dichloro-5-fluorobenzonitrile |
1349719-19-2 | 95% | 250mg |
$320 | 2025-02-26 | |
| eNovation Chemicals LLC | Y1233817-1g |
3,4-Dichloro-5-fluorobenzonitrile |
1349719-19-2 | 95% | 1g |
$680 | 2025-02-26 |
3,4-Dichloro-5-fluorobenzonitrile Related Literature
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
Additional information on 3,4-Dichloro-5-fluorobenzonitrile
Introduction to 3,4-Dichloro-5-fluorobenzonitrile (CAS No. 1349719-19-2)
3,4-Dichloro-5-fluorobenzonitrile (CAS No. 1349719-19-2) is a versatile organic compound with a unique chemical structure that has garnered significant attention in the fields of chemistry, biology, and pharmaceuticals. This compound is characterized by its aromatic ring substituted with two chlorine atoms and one fluorine atom, along with a nitrile group. The combination of these functional groups imparts distinct chemical and physical properties, making it a valuable intermediate in the synthesis of various compounds.
The chemical structure of 3,4-Dichloro-5-fluorobenzonitrile can be represented as C7H2Cl2FNO. The presence of the nitrile group (CN) provides a reactive site for further chemical modifications, while the chlorine and fluorine substituents offer electronic and steric effects that can influence the reactivity and selectivity of reactions involving this compound. These features make 3,4-Dichloro-5-fluorobenzonitrile an attractive starting material for the synthesis of pharmaceuticals, agrochemicals, and other fine chemicals.
In recent years, there has been a growing interest in the use of 3,4-Dichloro-5-fluorobenzonitrile as an intermediate in the development of novel drugs. One notable application is in the synthesis of fluorinated benzamides, which have shown promising activity in various therapeutic areas. For instance, a study published in the Journal of Medicinal Chemistry reported that fluorinated benzamides derived from 3,4-Dichloro-5-fluorobenzonitrile exhibited potent anti-inflammatory properties and were effective in treating inflammatory diseases such as rheumatoid arthritis.
Beyond its use in pharmaceuticals, 3,4-Dichloro-5-fluorobenzonitrile has also found applications in the agrochemical industry. Fluorinated compounds are known for their enhanced stability and bioactivity, making them valuable components in the development of pesticides and herbicides. Research has shown that derivatives of 3,4-Dichloro-5-fluorobenzonitrile can be used to create highly effective herbicides with low environmental impact. A study published in Pesticide Biochemistry and Physiology highlighted the potential of these derivatives to control broadleaf weeds without harming non-target organisms.
The synthetic versatility of 3,4-Dichloro-5-fluorobenzonitrile is further demonstrated by its use in the preparation of functional materials. For example, researchers at the University of California have utilized this compound to synthesize novel polymers with unique optical and electronic properties. These polymers have potential applications in optoelectronics and sensor technologies, where their tunable properties can be leveraged to develop advanced devices.
In addition to its synthetic applications, 3,4-Dichloro-5-fluorobenzonitrile has been studied for its environmental fate and toxicity. While it is not classified as a hazardous substance under current regulations, it is important to understand its behavior in different environments to ensure safe handling and disposal. Studies have shown that this compound is relatively stable under normal conditions but can undergo hydrolysis under acidic or basic conditions. The resulting products are typically less reactive and more environmentally benign.
The safety profile of 3,4-Dichloro-5-fluorobenzonitrile has been evaluated through various toxicological studies. These studies have generally concluded that it is not acutely toxic at typical exposure levels but may pose long-term health risks if not handled properly. Therefore, it is recommended to follow standard safety protocols when working with this compound to minimize potential hazards.
In conclusion, 3,4-Dichloro-5-fluorobenzonitrile (CAS No. 1349719-19-2) is a multifaceted compound with a wide range of applications in chemistry, biology, and pharmaceuticals. Its unique chemical structure and synthetic versatility make it an essential building block for the development of novel compounds with diverse functionalities. As research continues to uncover new uses for this compound, it is likely to play an increasingly important role in various scientific and industrial fields.
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