乙二酰氯
TL;DR: 乙二酰氯 (CAS 79-37-8) is a chemical compound with molecular formula C2Cl2O2 and molecular weight 125.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
乙二酰氯
oxalyl dichloride
Also Known As: Oxalyl chloride, Oxalyl dichloride, Oxalic dichloride, Ethanedioyl dichloride, Oxaloyl chloride
| Molecular Formula | C2Cl2O2 |
|---|---|
| Molecular Weight | 125.93 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 125.927536 |
| Heavy Atoms | 6 |
| Complexity | 75.0 |
| Melting Point | -16 °C |
| Boiling Point | 63.5 °C @760 [mm Hg] |
| Density | 1.4785 @ 20°C |
| Vapor Pressure | 150.0 [mmHg] |
Chemical Identifiers
| CAS Number | 79-37-8 |
|---|---|
| SMILES | C(=O)(C(=O)Cl)Cl |
| InChIKey | CTSLXHKWHWQRSH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
乙二酰氯 (CAS 79-37-8), with molecular formula C2Cl2O2 and molecular weight 125.93 g/mol. IUPAC: oxalyl dichloride.
Chemical Property Profile of 乙二酰氯
Property Insights of 乙二酰氯
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 乙二酰氯. With a topological polar surface area (TPSA) of 34.1 Ų, 乙二酰氯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 乙二酰氯 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 乙二酰氯?
The CAS number of 乙二酰氯 is 79-37-8.
What is the molecular formula of 乙二酰氯?
The molecular formula of 乙二酰氯 is C2Cl2O2.
What is the molecular weight of 乙二酰氯?
The molecular weight of 乙二酰氯 is 125.93 g/mol.
Where can I buy 乙二酰氯?
You can request a quote for 乙二酰氯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 乙二酰氯?
Yes, KEHONG BIO provides custom synthesis services for 乙二酰氯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.