Terephthaloyl chloride
TL;DR: Terephthaloyl chloride (CAS 100-20-9) is a chemical compound with molecular formula C8H4Cl2O2 and molecular weight 201.95883 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
benzene-1,4-dicarbonyl chloride
Also Known As: Terephthaloyl chloride, Terephthaloyl dichloride, p-Phthaloyl chloride, Terephthalic dichloride, p-Phthaloyl dichloride
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H4Cl2O2 |
| Molecular Weight | 201.95883 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 201.95883 Da |
| Heavy Atoms | 12 |
| Complexity | 173.0 |
| Melting Point | 82-84 °C |
| Boiling Point | 259 °C |
| Density | 1.32 g/cm³ |
| Flash Point | 356 °F |
| Vapor Pressure | Vapor pressure, Pa at 20 °C: 320 |
| Solubility | SOLUBLE IN ETHER |
| SMILES | C1=CC(=CC=C1C(=O)Cl)C(=O)Cl |
| InChIKey | LXEJRKJRKIFVNY-UHFFFAOYSA-N |
Chemical Property Profile of Terephthaloyl chloride
Property Insights of Terephthaloyl chloride
The XLogP value of 4.0 indicates that Terephthaloyl chloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.1 Ų, Terephthaloyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Terephthaloyl chloride has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Terephthaloyl chloride?
The CAS number of Terephthaloyl chloride is 100-20-9.
What is the molecular formula of Terephthaloyl chloride?
The molecular formula of Terephthaloyl chloride is C8H4Cl2O2.
What is the molecular weight of Terephthaloyl chloride?
The molecular weight of Terephthaloyl chloride is 201.95883 g/mol.
Where can I buy Terephthaloyl chloride?
You can request a quote for Terephthaloyl chloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Terephthaloyl chloride?
Yes, CoreyChem provides custom synthesis services for Terephthaloyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.