1,1,2-三氯乙烷
TL;DR: 1,1,2-三氯乙烷 (CAS 79-00-5) is a chemical compound with molecular formula C2H3Cl3 and molecular weight 131.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,2-三氯乙烷
1,1,2-trichloroethane
Also Known As: 1,1,2-TRICHLOROETHANE, Vinyltrichloride, Vinyl trichloride, beta-Trichloroethane, Ethane trichloride
| Molecular Formula | C2H3Cl3 |
|---|---|
| Molecular Weight | 131.93 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 131.93004 |
| Heavy Atoms | 5 |
| Complexity | 18.0 |
| Melting Point | -37.2 °C |
| Boiling Point | 112.8 °C at 760 mmHg |
| Density | 1.44 at 20.0 °C |
| Solubility | 1 to 5 mg/mL at 68 °F (NTP, 1992) |
| Vapor Pressure | 16.7 mmHg at 20.0 °C ; 20 mmHg at 21.6 °C |
| Refractive Index | 1.4711 at 20 °C |
Chemical Identifiers
| CAS Number | 79-00-5 |
|---|---|
| SMILES | C(C(Cl)Cl)Cl |
| InChIKey | UBOXGVDOUJQMTN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,1,2-三氯乙烷 (CAS 79-00-5), with molecular formula C2H3Cl3 and molecular weight 131.93 g/mol. IUPAC: 1,1,2-trichloroethane.
Chemical Property Profile of 1,1,2-三氯乙烷
Property Insights of 1,1,2-三氯乙烷
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1,2-三氯乙烷. With a topological polar surface area (TPSA) of 0.0 Ų, 1,1,2-三氯乙烷 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1,2-三氯乙烷 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 1,1,2-三氯乙烷?
The CAS number of 1,1,2-三氯乙烷 is 79-00-5.
What is the molecular formula of 1,1,2-三氯乙烷?
The molecular formula of 1,1,2-三氯乙烷 is C2H3Cl3.
What is the molecular weight of 1,1,2-三氯乙烷?
The molecular weight of 1,1,2-三氯乙烷 is 131.93 g/mol.
Where can I buy 1,1,2-三氯乙烷?
You can request a quote for 1,1,2-三氯乙烷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1,2-三氯乙烷?
Yes, KEHONG BIO provides custom synthesis services for 1,1,2-三氯乙烷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.