Phthaloyl chloride
TL;DR: Phthaloyl chloride (CAS 88-95-9) 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.
benzene-1,2-dicarbonyl chloride
Also Known As: Phthaloyl dichloride, PHTHALOYL CHLORIDE, Phthalic chloride, Phthalyl chloride, Phthalic dichloride
| Molecular Formula | C8H4Cl2O2 |
|---|---|
| Molecular Weight | 201.96 g/mol |
| LogP | 2.7 |
| 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 | 181.0 |
| Boiling Point | 281.1 °C @760 [mm Hg] |
| Density | 1.409 @25 °C |
| Vapor Pressure | 30 [mm Hg] @47 °C |
Chemical Identifiers
| CAS Number | 88-95-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)Cl)C(=O)Cl |
| InChIKey | FYXKZNLBZKRYSS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phthaloyl chloride (CAS 88-95-9), with molecular formula C8H4Cl2O2 and molecular weight 201.96 g/mol. IUPAC: benzene-1,2-dicarbonyl chloride.
Chemical Property Profile of Phthaloyl chloride
Property Insights of Phthaloyl chloride
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phthaloyl chloride. With a topological polar surface area (TPSA) of 34.1 Ų, Phthaloyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phthaloyl 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
Frequently Asked Questions
What is the CAS number of Phthaloyl chloride?
The CAS number of Phthaloyl chloride is 88-95-9.
What is the molecular formula of Phthaloyl chloride?
The molecular formula of Phthaloyl chloride is C8H4Cl2O2.
What is the molecular weight of Phthaloyl chloride?
The molecular weight of Phthaloyl chloride is 201.96 g/mol.
Where can I buy Phthaloyl chloride?
You can request a quote for Phthaloyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phthaloyl chloride?
Yes, KEHONG BIO provides custom synthesis services for Phthaloyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.