Phthalaldehyde
TL;DR: Phthalaldehyde (CAS 643-79-8) is a chemical compound with molecular formula C8H6O2 and molecular weight 134.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phthalaldehyde
Also Known As: o-Phthalaldehyde, PHTHALALDEHYDE, o-Phthaldialdehyde, Phthaldialdehyde, 1,2-Benzenedicarboxaldehyde
| Molecular Formula | C8H6O2 |
|---|---|
| Molecular Weight | 134.04 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 134.03677 |
| Heavy Atoms | 10 |
| Complexity | 115.0 |
| Melting Point | 55.8 °C |
| Boiling Point | BP: 83 °C at 0.8 mm Hg |
| Density | Density (at 20 °C): 1.13 g/cm³ |
| Solubility | In water, 5 g/100 mL at 20 °C |
| Flash Point | 132 °C (132.2 °C) - closed cup |
| Vapor Pressure | 0.0052 [mmHg] |
Chemical Identifiers
| CAS Number | 643-79-8 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C=O)C=O |
| InChIKey | ZWLUXSQADUDCSB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phthalaldehyde (CAS 643-79-8), with molecular formula C8H6O2 and molecular weight 134.04 g/mol. IUPAC: phthalaldehyde.
Chemical Property Profile of Phthalaldehyde
Property Insights of Phthalaldehyde
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phthalaldehyde. With a topological polar surface area (TPSA) of 34.1 Ų, Phthalaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phthalaldehyde 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 Phthalaldehyde?
The CAS number of Phthalaldehyde is 643-79-8.
What is the molecular formula of Phthalaldehyde?
The molecular formula of Phthalaldehyde is C8H6O2.
What is the molecular weight of Phthalaldehyde?
The molecular weight of Phthalaldehyde is 134.04 g/mol.
Where can I buy Phthalaldehyde?
You can request a quote for Phthalaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phthalaldehyde?
Yes, KEHONG BIO provides custom synthesis services for Phthalaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.