二氯乙酸
TL;DR: 二氯乙酸 (CAS 79-43-6) is a chemical compound with molecular formula C2H2Cl2O2 and molecular weight 127.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
二氯乙酸
2,2-dichloroacetic acid
Also Known As: DICHLOROACETIC ACID, 2,2-Dichloroacetic acid, Dichloracetic acid, Urner's liquid, Bichloracetic acid
| Molecular Formula | C2H2Cl2O2 |
|---|---|
| Molecular Weight | 127.94 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 127.943184 |
| Heavy Atoms | 6 |
| Complexity | 60.0 |
| Melting Point | 9.7 °C |
| Boiling Point | 193.9 °C at 760 mmHg |
| Density | 1.563 at 20.0 °C |
| Solubility | greater than or equal to 100 mg/mL at 59 °F (NTP, 1992) |
| Flash Point | greater than 112.8 °C |
| Vapor Pressure | 1 mmHg at 43.9 °C ; 5 mmHg at 69.8 °C |
| Refractive Index | 1.4658 at 20 °C |
Chemical Identifiers
| CAS Number | 79-43-6 |
|---|---|
| SMILES | C(C(=O)O)(Cl)Cl |
| InChIKey | JXTHNDFMNIQAHM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
二氯乙酸 (CAS 79-43-6), with molecular formula C2H2Cl2O2 and molecular weight 127.94 g/mol. IUPAC: 2,2-dichloroacetic acid.
Chemical Property Profile of 二氯乙酸
Property Insights of 二氯乙酸
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 二氯乙酸. With a topological polar surface area (TPSA) of 37.3 Ų, 二氯乙酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 二氯乙酸 has 1 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 二氯乙酸?
The CAS number of 二氯乙酸 is 79-43-6.
What is the molecular formula of 二氯乙酸?
The molecular formula of 二氯乙酸 is C2H2Cl2O2.
What is the molecular weight of 二氯乙酸?
The molecular weight of 二氯乙酸 is 127.94 g/mol.
Where can I buy 二氯乙酸?
You can request a quote for 二氯乙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 二氯乙酸?
Yes, KEHONG BIO provides custom synthesis services for 二氯乙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.