邻三甲苯
TL;DR: 邻三甲苯 (CAS 526-73-8) is a chemical compound with molecular formula C9H12 and molecular weight 120.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
邻三甲苯
1,2,3-trimethylbenzene
Also Known As: 1,2,3-TRIMETHYLBENZENE, Hemimellitene, Hemellitol, Trimethylbenzene, Hemimellitol
| Molecular Formula | C9H12 |
|---|---|
| Molecular Weight | 120.09 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 120.0939 |
| Heavy Atoms | 9 |
| Complexity | 76.0 |
| Melting Point | -25.4 °C |
| Boiling Point | 176.12 °C |
| Density | 0.8944 g/cu cm at 20 °C |
| Solubility | Miscible with ethanol, ether, acetone, benzene, petroleum ether, carbon tetrachloride |
| Flash Point | 44 to 53 °C (closed cup) |
| Vapor Pressure | 1.69 [mmHg] |
| Refractive Index | 1.5139 at 20 °C |
Chemical Identifiers
| CAS Number | 526-73-8 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)C |
| InChIKey | FYGHSUNMUKGBRK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
邻三甲苯 (CAS 526-73-8), with molecular formula C9H12 and molecular weight 120.09 g/mol. IUPAC: 1,2,3-trimethylbenzene.
Chemical Property Profile of 邻三甲苯
Property Insights of 邻三甲苯
The XLogP value of 3.6 indicates that 邻三甲苯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 邻三甲苯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 邻三甲苯 has 0 hydrogen bond donor(s) and 0 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 邻三甲苯?
The CAS number of 邻三甲苯 is 526-73-8.
What is the molecular formula of 邻三甲苯?
The molecular formula of 邻三甲苯 is C9H12.
What is the molecular weight of 邻三甲苯?
The molecular weight of 邻三甲苯 is 120.09 g/mol.
Where can I buy 邻三甲苯?
You can request a quote for 邻三甲苯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 邻三甲苯?
Yes, KEHONG BIO provides custom synthesis services for 邻三甲苯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.