1,1,1,2-四氯乙烷
TL;DR: 1,1,1,2-四氯乙烷 (CAS 630-20-6) is a chemical compound with molecular formula C2H2Cl4 and molecular weight 165.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,1,2-四氯乙烷
1,1,1,2-tetrachloroethane
Also Known As: 1,1,1,2-TETRACHLOROETHANE, Tetrachloroethane, diisopropyl-benzen, RCRA waste number U208, Ethane, 1,1,1,2-tetrachloro-
| Molecular Formula | C2H2Cl4 |
|---|---|
| Molecular Weight | 165.89 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 167.8881 |
| Heavy Atoms | 6 |
| Complexity | 35.0 |
| Melting Point | -70.2 °C |
| Boiling Point | 130.5 °C at 760 mmHg |
| Density | 1.5406 at 20.0 °C |
| Solubility | less than 1 mg/mL at 68.9 °F (NTP, 1992) |
| Vapor Pressure | 10 mmHg at 19.3 °C ; 20 mmHg at 32.1 °C |
| Refractive Index | = 1.4821 at 20 °C |
Chemical Identifiers
| CAS Number | 630-20-6 |
|---|---|
| SMILES | C(C(Cl)(Cl)Cl)Cl |
| InChIKey | QVLAWKAXOMEXPM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,1,1,2-四氯乙烷 (CAS 630-20-6), with molecular formula C2H2Cl4 and molecular weight 165.89 g/mol. IUPAC: 1,1,1,2-tetrachloroethane.
Chemical Property Profile of 1,1,1,2-四氯乙烷
Property Insights of 1,1,1,2-四氯乙烷
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1,1,2-四氯乙烷. With a topological polar surface area (TPSA) of 0.0 Ų, 1,1,1,2-四氯乙烷 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1,1,2-四氯乙烷 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 1,1,1,2-四氯乙烷?
The CAS number of 1,1,1,2-四氯乙烷 is 630-20-6.
What is the molecular formula of 1,1,1,2-四氯乙烷?
The molecular formula of 1,1,1,2-四氯乙烷 is C2H2Cl4.
What is the molecular weight of 1,1,1,2-四氯乙烷?
The molecular weight of 1,1,1,2-四氯乙烷 is 165.89 g/mol.
Where can I buy 1,1,1,2-四氯乙烷?
You can request a quote for 1,1,1,2-四氯乙烷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1,1,2-四氯乙烷?
Yes, KEHONG BIO provides custom synthesis services for 1,1,1,2-四氯乙烷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.