Cas no 5172-02-1 (Benzene,1-chloro-4-(2-phenylethynyl)-)
Benzene,1-chloro-4-(2-phenylethynyl)- Chemical and Physical Properties
Names and Identifiers
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- Benzene,1-chloro-4-(2-phenylethynyl)-
- 1-CHLORO-4-(PHENYLETHYNYL)BENZENE
- 1-Chloro-4-phenylethynyl-benzene
- 510750_ALDRICH
- AC1L899I
- ACMC-20aovy
- CTK4J4733
- NSC407575
- SureCN717633
- NSC-407575
- 1-Chloro-4-(phenylethynyl)benzene, 98%
- MFCD00957930
- AS-37245
- 4-chlorophenylethynylbenzene
- p-chlorodiphenylacetylene
- 1-chloro-4-(2-phenylethynyl)benzene
- YMZAAGCDWVIPNL-UHFFFAOYSA-N
- AKOS005068211
- 5172-02-1
- Benzene, 1-chloro-4-(phenylethynyl)-
- InChI=1/C14H9Cl/c15-14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-5,8-11
- DTXSID90324707
- SCHEMBL717633
- 1-CHLORO-4-(PHENYLETHYNYL)BENZENE 98
-
- MDL: MFCD00957930
- Inchi: 1S/C14H9Cl/c15-14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-5,8-11H
- InChI Key: YMZAAGCDWVIPNL-UHFFFAOYSA-N
- SMILES: ClC1C=CC(C#CC2C=CC=CC=2)=CC=1
Computed Properties
- Exact Mass: 212.03900
- Monoisotopic Mass: 212.039
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 15
- Rotatable Bond Count: 0
- Complexity: 243
- 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
- XLogP3: 5.4
- Topological Polar Surface Area: 0
Experimental Properties
- Color/Form: solid
- Density: 1.19
- Melting Point: 81-83?°C (lit.)
- Boiling Point: 327°Cat760mmHg
- Flash Point: 146.4°C
- Refractive Index: 1.634
- PSA: 0.00000
- LogP: 3.73980
- Solubility: Not determined
Benzene,1-chloro-4-(2-phenylethynyl)- Security Information
-
Symbol:
- Signal Word:Warning
- Hazard Statement: H315-H319-H335
- Warning Statement: P261-P305+P351+P338
- Hazardous Material transportation number:NONH for all modes of transport
- WGK Germany:3
- Hazard Category Code: 36/37/38
- Safety Instruction: S26; S36
-
Hazardous Material Identification:
- Risk Phrases:R36/37/38
Benzene,1-chloro-4-(2-phenylethynyl)- 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%
Benzene,1-chloro-4-(2-phenylethynyl)- Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A019092497-1g |
1-Chloro-4-(phenylethynyl)benzene |
5172-02-1 | 95% | 1g |
$346.50 | 2023-09-01 | |
| Fluorochem | 049212-250mg |
1-Chloro-4-phenylethynyl-benzene |
5172-02-1 | 97% | 250mg |
£149.00 | 2022-02-28 | |
| Fluorochem | 049212-1g |
1-Chloro-4-phenylethynyl-benzene |
5172-02-1 | 97% | 1g |
£372.00 | 2022-02-28 | |
| abcr | AB284241-1 g |
1-Chloro-4-(2-phenylethynyl)benzene; . |
5172-02-1 | 1 g |
€1,338.30 | 2023-07-20 | ||
| XI GE MA AO DE LI QI ( SHANG HAI ) MAO YI Co., Ltd. | 510750-1G |
Benzene,1-chloro-4-(2-phenylethynyl)- |
5172-02-1 | 98% | 1G |
¥704.35 | 2022-02-24 | |
| abcr | AB284241-1g |
1-Chloro-4-(2-phenylethynyl)benzene; . |
5172-02-1 | 1g |
€1285.20 | 2025-04-18 | ||
| 1PlusChem | 1P003EOR-250mg |
1-Chloro-4-(phenylethynyl)benzene |
5172-02-1 | 97% | 250mg |
$45.00 | 2024-04-30 | |
| 1PlusChem | 1P003EOR-1g |
1-Chloro-4-(phenylethynyl)benzene |
5172-02-1 | 98% | 1g |
$115.00 | 2024-04-30 | |
| Ambeed | A136854-100mg |
1-Chloro-4-(phenylethynyl)benzene |
5172-02-1 | 97% | 100mg |
$33.0 | 2025-03-05 | |
| Ambeed | A136854-250mg |
1-Chloro-4-(phenylethynyl)benzene |
5172-02-1 | 97% | 250mg |
$50.0 | 2025-03-05 |
Benzene,1-chloro-4-(2-phenylethynyl)- Related Literature
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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N. Soin,D. Boyer,K. Prashanthi,S. Sharma,A. A. Narasimulu,J. Luo,T. H. Shah,E. Siores,T. Thundat Chem. Commun., 2015,51, 8257-8260
Additional information on Benzene,1-chloro-4-(2-phenylethynyl)-
Recent Advances in the Study of Benzene,1-chloro-4-(2-phenylethynyl)- (CAS 5172-02-1): A Comprehensive Research Brief
Benzene,1-chloro-4-(2-phenylethynyl)- (CAS 5172-02-1) is a chemical compound of significant interest in the field of chemical biology and pharmaceutical research. This compound, characterized by its unique structural features, has been the subject of recent investigations due to its potential applications in drug discovery, material science, and synthetic chemistry. The present research brief aims to provide an up-to-date overview of the latest findings related to this compound, focusing on its synthesis, biological activities, and potential therapeutic applications.
Recent studies have highlighted the synthetic versatility of Benzene,1-chloro-4-(2-phenylethynyl)-, with several research groups reporting novel methodologies for its preparation. A 2023 publication in the Journal of Organic Chemistry demonstrated an efficient palladium-catalyzed coupling approach that significantly improves the yield and purity of the compound compared to traditional methods. The study also explored the compound's reactivity profile, revealing its potential as a building block for more complex molecular architectures.
In the realm of biological applications, emerging research has identified promising pharmacological properties associated with Benzene,1-chloro-4-(2-phenylethynyl)-. A recent preclinical study published in Bioorganic & Medicinal Chemistry Letters reported that derivatives of this compound exhibit notable inhibitory activity against specific kinase targets implicated in inflammatory diseases. The researchers utilized molecular docking simulations and in vitro assays to elucidate the structure-activity relationships, providing valuable insights for future drug design efforts.
The compound's physicochemical properties have also been a focus of investigation. A 2024 computational study in the Journal of Physical Chemistry A employed advanced quantum mechanical calculations to characterize the electronic structure and spectroscopic features of Benzene,1-chloro-4-(2-phenylethynyl)-. These findings have important implications for understanding the compound's behavior in various environments and its potential applications in materials science, particularly in the development of organic electronic devices.
From a safety and regulatory perspective, recent toxicological assessments of Benzene,1-chloro-4-(2-phenylethynyl)- have provided valuable data for its handling and potential commercial use. A comprehensive risk assessment published in Regulatory Toxicology and Pharmacology in 2023 evaluated the compound's environmental fate and ecotoxicological profile, establishing preliminary safety guidelines for its industrial applications.
Looking forward, the research community continues to explore new avenues for utilizing Benzene,1-chloro-4-(2-phenylethynyl)-. Current investigations include its potential as a precursor for fluorescent probes in biological imaging and its incorporation into novel polymeric materials with tailored optical properties. These diverse applications underscore the compound's versatility and the importance of continued research in this area.
In conclusion, the growing body of research on Benzene,1-chloro-4-(2-phenylethynyl)- (CAS 5172-02-1) demonstrates its significant potential across multiple scientific disciplines. The compound's unique chemical properties, combined with recent advances in synthetic methodologies and biological evaluation, position it as a promising candidate for future pharmaceutical and material science applications. Continued interdisciplinary collaboration will be essential to fully realize the potential of this interesting chemical entity.
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