邻苯二甲酸
TL;DR: 邻苯二甲酸 (CAS 88-99-3) is a chemical compound with molecular formula C8H6O4 and molecular weight 166.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
邻苯二甲酸
phthalic acid
Also Known As: phthalic acid, Pathalic acid, o-phthalic acid, 1,2-benzenedicarboxylic acid, o-dicarboxybenzene
| Molecular Formula | C8H6O4 |
|---|---|
| Molecular Weight | 166.03 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 166.02661 |
| Heavy Atoms | 12 |
| Complexity | 177.0 |
| Melting Point | 410 to 211.1 °C (decomposes) |
| Boiling Point | Decomposes |
| Density | 1.593 at 20.0 °C |
| Solubility | less than 1 mg/mL at 68 °F (NTP, 1992) |
| Flash Point | 167.8 °C |
| Vapor Pressure | 0.00000064 [mmHg] |
Chemical Identifiers
| CAS Number | 88-99-3 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)O)C(=O)O |
| InChIKey | XNGIFLGASWRNHJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
邻苯二甲酸 (CAS 88-99-3), with molecular formula C8H6O4 and molecular weight 166.03 g/mol. IUPAC: phthalic acid.
Chemical Property Profile of 邻苯二甲酸
Property Insights of 邻苯二甲酸
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 邻苯二甲酸. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 邻苯二甲酸. Following Lipinski's Rule of Five, 邻苯二甲酸 has 2 hydrogen bond donor(s) and 4 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 邻苯二甲酸?
The CAS number of 邻苯二甲酸 is 88-99-3.
What is the molecular formula of 邻苯二甲酸?
The molecular formula of 邻苯二甲酸 is C8H6O4.
What is the molecular weight of 邻苯二甲酸?
The molecular weight of 邻苯二甲酸 is 166.03 g/mol.
Where can I buy 邻苯二甲酸?
You can request a quote for 邻苯二甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 邻苯二甲酸?
Yes, KEHONG BIO provides custom synthesis services for 邻苯二甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.