1-Chloro-2-(phenylethynyl)benzene
TL;DR: 1-Chloro-2-(phenylethynyl)benzene (CAS 10271-57-5) is a chemical compound with molecular formula C14H9Cl and molecular weight 212.03928 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-chloro-2-(2-phenylethynyl)benzene
Also Known As: 1-chloro-2-(2-phenylethynyl)benzene, 1-CHLORO-2-(PHENYLETHYNYL)BENZENE, Chloro(phenylethynyl)benzene, 1-Phenyl-2-(2-chlorophenyl)ethyne, (o-Chlorophenyl)phenylacetylene
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C14H9Cl |
| Molecular Weight | 212.03928 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 212.03928 Da |
| Heavy Atoms | 15 |
| Complexity | 251.0 |
| SMILES | C1=CC=C(C=C1)C#CC2=CC=CC=C2Cl |
| InChIKey | IUGPZGPRLHJZAW-UHFFFAOYSA-N |
Chemical Property Profile of 1-Chloro-2-(phenylethynyl)benzene
Property Insights of 1-Chloro-2-(phenylethynyl)benzene
The XLogP value of 4.6 indicates that 1-Chloro-2-(phenylethynyl)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1-Chloro-2-(phenylethynyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Chloro-2-(phenylethynyl)benzene has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-Chloro-2-(phenylethynyl)benzene?
The CAS number of 1-Chloro-2-(phenylethynyl)benzene is 10271-57-5.
What is the molecular formula of 1-Chloro-2-(phenylethynyl)benzene?
The molecular formula of 1-Chloro-2-(phenylethynyl)benzene is C14H9Cl.
What is the molecular weight of 1-Chloro-2-(phenylethynyl)benzene?
The molecular weight of 1-Chloro-2-(phenylethynyl)benzene is 212.03928 g/mol.
Where can I buy 1-Chloro-2-(phenylethynyl)benzene?
You can request a quote for 1-Chloro-2-(phenylethynyl)benzene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Chloro-2-(phenylethynyl)benzene?
Yes, CoreyChem provides custom synthesis services for 1-Chloro-2-(phenylethynyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.