对苯二甲酰氯
TL;DR: 对苯二甲酰氯 (CAS 100-20-9) is a chemical compound with molecular formula C8H4Cl2O2 and molecular weight 201.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
对苯二甲酰氯
benzene-1,4-dicarbonyl chloride
Also Known As: Terephthaloyl chloride, Terephthaloyl dichloride, p-Phthaloyl chloride, Terephthalic dichloride, p-Phthaloyl dichloride
| Molecular Formula | C8H4Cl2O2 |
|---|---|
| Molecular Weight | 201.96 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 201.95883 |
| Heavy Atoms | 12 |
| Complexity | 173.0 |
| Melting Point | 82-84 °C |
| Boiling Point | 259 °C |
| Density | 1.32 g/cm³ |
| Solubility | SOLUBLE IN ETHER |
| Flash Point | 180.0 °C |
| Vapor Pressure | Vapor pressure, Pa at 20 °C: 320 |
Chemical Identifiers
| CAS Number | 100-20-9 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)Cl)C(=O)Cl |
| InChIKey | LXEJRKJRKIFVNY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
对苯二甲酰氯 (CAS 100-20-9), with molecular formula C8H4Cl2O2 and molecular weight 201.96 g/mol. IUPAC: benzene-1,4-dicarbonyl chloride.
Chemical Property Profile of 对苯二甲酰氯
Property Insights of 对苯二甲酰氯
The XLogP value of 4.0 indicates that 对苯二甲酰氯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.1 Ų, 对苯二甲酰氯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 对苯二甲酰氯 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
Frequently Asked Questions
What is the CAS number of 对苯二甲酰氯?
The CAS number of 对苯二甲酰氯 is 100-20-9.
What is the molecular formula of 对苯二甲酰氯?
The molecular formula of 对苯二甲酰氯 is C8H4Cl2O2.
What is the molecular weight of 对苯二甲酰氯?
The molecular weight of 对苯二甲酰氯 is 201.96 g/mol.
Where can I buy 对苯二甲酰氯?
You can request a quote for 对苯二甲酰氯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 对苯二甲酰氯?
Yes, KEHONG BIO provides custom synthesis services for 对苯二甲酰氯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.