Cas no 202982-70-5 (3-chloro-5-fluoro-phenol)
3-chloro-5-fluoro-phenol Chemical and Physical Properties
Names and Identifiers
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- 3-Chloro-5-fluorophenol
- C6H4ClFO
- 3-chloranyl-5-fluoranyl-phenol
- 3-chloro-5-fluoro-phenol
- Phenol, 3-chloro-5-fluoro-
- PubChem2858
- ZMFBYTAAMHWQHD-UHFFFAOYSA-N
- SBB086519
- 3-Chloro-5-fluorophenol, AldrichCPR
- AS00393
- VZ35045
- AM82862
- AK116841
- SY026622
- ST2405027
- AB0067925
- MFCD00042212
- AC-28533
- DTXSID10378661
- J-013190
- 202982-70-5
- PS-8946
- DS-2809
- BP-10712
- EN300-248338
- SCHEMBL221839
- FT-0657199
- CS-W005519
- AKOS006230029
- A814412
- A928657
- DTXCID60329688
-
- MDL: MFCD00042212
- Inchi: 1S/C6H4ClFO/c7-4-1-5(8)3-6(9)2-4/h1-3,9H
- InChI Key: ZMFBYTAAMHWQHD-UHFFFAOYSA-N
- SMILES: ClC1=CC(=CC(=C1)O)F
Computed Properties
- Exact Mass: 145.99300
- Monoisotopic Mass: 145.993
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 9
- Rotatable Bond Count: 0
- Complexity: 99.1
- 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
- XLogP3: 3.1
- Topological Polar Surface Area: 20.2
- Surface Charge: 0
- Tautomer Count: 3
Experimental Properties
- Color/Form: Yellow liquid similar to phenol
- Density: 1.408
- Melting Point: No data available
- Boiling Point: 206℃ at 760 mmHg
- Flash Point: 78.4°C
- Refractive Index: 1.537
- Water Partition Coefficient: Immiscible with water.
- PSA: 20.23000
- LogP: 2.18470
- Solubility: Unable or difficult to mix
3-chloro-5-fluoro-phenol Security Information
- Signal Word:warning
- Hazard Statement: Irritant
-
Warning Statement:
P264Thoroughly clean after treatment
P280Wear protective gloves/Wear protective clothing/Wear protective goggles/Wear a protective mask
P305If it enters the eyes
P351Rinse carefully with water for a few minutes
P338Remove the contact lens(If any)And easy to operate,Continue flushing
P337If eye irritation persists
P313Obtain medical advice/care - Hazard Category Code: 20/21/22-36/37/38-22
- Safety Instruction: S26-S36/37/39
-
Hazardous Material Identification:
- HazardClass:8
- Risk Phrases:R20/21/22
- Storage Condition:Ambient temperatures.
3-chloro-5-fluoro-phenol Customs Data
- HS CODE:2908199090
- Customs Data:
China Customs Code:
2908199090Overview:
HS:2908199090 Derivatives of other phenols and phenolic alcohols containing only halogen substituents and their salts 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: 2908199090. derivatives of polyphenols or phenol-alcohols containing only halogen substituents and their salts. VAT:17.0%. tax rebate rate:9.0%. supervision conditions:None. MFN tariff:5.5%. general tariff:30.0%
3-chloro-5-fluoro-phenol Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Chemenu | CM117092-25g |
3-Chloro-5-fluorophenol |
202982-70-5 | 95+% | 25g |
$224 | 2021-06-17 | |
| Fluorochem | 013283-1g |
3-Chloro-5-fluorophenol |
202982-70-5 | 99% | 1g |
£16.00 | 2022-03-01 | |
| Fluorochem | 013283-5g |
3-Chloro-5-fluorophenol |
202982-70-5 | 99% | 5g |
£63.00 | 2022-03-01 | |
| Fluorochem | 013283-10g |
3-Chloro-5-fluorophenol |
202982-70-5 | 99% | 10g |
£111.00 | 2022-03-01 | |
| Fluorochem | 013283-25g |
3-Chloro-5-fluorophenol |
202982-70-5 | 99% | 25g |
£200.00 | 2022-03-01 | |
| Alichem | A014002231-25g |
3-Chloro-5-fluorophenol |
202982-70-5 | 97% | 25g |
$998.00 | 2023-09-02 | |
| Apollo Scientific | PC8165-1g |
3-Chloro-5-fluorophenol |
202982-70-5 | 98% | 1g |
£10.00 | 2023-09-01 | |
| Apollo Scientific | PC8165-5g |
3-Chloro-5-fluorophenol |
202982-70-5 | 98% | 5g |
£11.00 | 2023-09-01 | |
| Apollo Scientific | PC8165-25g |
3-Chloro-5-fluorophenol |
202982-70-5 | 98% | 25g |
£14.00 | 2023-09-01 | |
| TRC | C367185-2.5g |
3-Chloro-5-fluorophenol |
202982-70-5 | 2.5g |
$ 125.00 | 2022-04-01 |
3-chloro-5-fluoro-phenol Suppliers
3-chloro-5-fluoro-phenol Related Literature
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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Additional information on 3-chloro-5-fluoro-phenol
Professional Introduction to 3-chloro-5-fluoro-phenol (CAS No. 202982-70-5)
3-chloro-5-fluoro-phenol, with the chemical formula C?H?ClF, is a fluorinated aromatic compound that has garnered significant attention in the field of pharmaceutical and agrochemical research. This compound, identified by its CAS number 202982-70-5, exhibits unique structural and chemical properties that make it a valuable intermediate in the synthesis of various biologically active molecules.
The< strong>fluorineatom in the molecule imparts distinct electronic and steric effects, influencing its reactivity and potential applications. The< strong>chlorosubstituent further enhances its utility as a building block in organic synthesis. Recent studies have highlighted the compound's role in developing novel therapeutic agents, particularly in the area of anti-inflammatory and antimicrobial drugs.
In the realm of medicinal chemistry, 3-chloro-5-fluoro-phenol has been explored for its potential to act as a precursor in the synthesis of kinase inhibitors. Kinases are enzymes involved in numerous cellular processes, and their dysregulation is often associated with various diseases, including cancer. By incorporating fluorine atoms into kinase inhibitors, researchers aim to improve their metabolic stability and binding affinity. The< strong>chlorogroup can also serve as a handle for further functionalization, allowing for the creation of more complex molecular architectures.
Recent advancements in computational chemistry have enabled more precise predictions of the biological activity of< strong>3-chloro-5-fluoro-phenol. Molecular modeling studies suggest that this compound can interact with specific protein targets, making it a promising candidate for drug discovery. Additionally, the< strong>fluorine-containing moiety is known to enhance the lipophilicity of drug candidates, which is a critical factor in their oral bioavailability.
The agrochemical industry has also shown interest in< strong>3-chloro-5-fluoro-phenol. Its structural features make it a suitable candidate for developing novel pesticides and herbicides. Fluorinated compounds are known for their improved efficacy and environmental stability, which are crucial attributes for agricultural applications. Research is ongoing to identify derivatives of this compound that exhibit enhanced pesticidal activity while minimizing environmental impact.
Synthetic methodologies for preparing< strong>3-chloro-5-fluoro-phenol have been refined over the years, leading to more efficient and scalable production processes. Modern synthetic routes often involve palladium-catalyzed cross-coupling reactions, which allow for precise functionalization of the aromatic ring. These advances have made it possible to produce large quantities of the compound for industrial applications.
The safety profile of< strong>3-chloro-5-fluoro-phenol is another critical aspect that has been thoroughly investigated. While it is not classified as a hazardous material, proper handling procedures must be followed to ensure safe laboratory practices. Researchers emphasize the importance of using personal protective equipment (PPE) and working in well-ventilated areas when handling this compound.
In conclusion, 3-chloro-5-fluoro-phenol(CAS No. 202982-70-5) is a versatile compound with significant potential in pharmaceutical and agrochemical applications. Its unique structural features, combined with recent advancements in synthetic chemistry and computational biology, make it an attractive candidate for further research and development. As our understanding of its properties continues to grow, so too will its role in creating innovative solutions for human health and agricultural productivity.
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