1,1,1,2-Tetrachloro-2,2-difluoroethane
TL;DR: 1,1,1,2-Tetrachloro-2,2-difluoroethane (CAS 76-11-9) is a chemical compound with molecular formula C2Cl4F2 and molecular weight 201.87 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,1,2-tetrachloro-2,2-difluoroethane
Also Known As: 1,1-Difluorotetrachloroethane, Halocarbon 112a, Refrigerant 112a, Fluorocarbon 112a, Freon BU
| Molecular Formula | C2Cl4F2 |
|---|---|
| Molecular Weight | 201.87 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 203.86926 |
| Heavy Atoms | 8 |
| Complexity | 84.0 |
| Melting Point | 40.6 °C |
| Boiling Point | 91.7 °C at 760 mmHg |
| Density | 1.65 |
| Solubility | 0.01 % (NIOSH, 2024) |
| Vapor Pressure | 40 mmHg |
Chemical Identifiers
| CAS Number | 76-11-9 |
|---|---|
| SMILES | C(C(Cl)(Cl)Cl)(F)(F)Cl |
| InChIKey | SLGOCMATMKJJCE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,1,1,2-Tetrachloro-2,2-difluoroethane (CAS 76-11-9), with molecular formula C2Cl4F2 and molecular weight 201.87 g/mol. IUPAC: 1,1,1,2-tetrachloro-2,2-difluoroethane.
Chemical Property Profile of 1,1,1,2-Tetrachloro-2,2-difluoroethane
Property Insights of 1,1,1,2-Tetrachloro-2,2-difluoroethane
The XLogP value of 3.4 indicates that 1,1,1,2-Tetrachloro-2,2-difluoroethane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1,1,1,2-Tetrachloro-2,2-difluoroethane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1,1,2-Tetrachloro-2,2-difluoroethane 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 1,1,1,2-Tetrachloro-2,2-difluoroethane?
The CAS number of 1,1,1,2-Tetrachloro-2,2-difluoroethane is 76-11-9.
What is the molecular formula of 1,1,1,2-Tetrachloro-2,2-difluoroethane?
The molecular formula of 1,1,1,2-Tetrachloro-2,2-difluoroethane is C2Cl4F2.
What is the molecular weight of 1,1,1,2-Tetrachloro-2,2-difluoroethane?
The molecular weight of 1,1,1,2-Tetrachloro-2,2-difluoroethane is 201.87 g/mol.
Where can I buy 1,1,1,2-Tetrachloro-2,2-difluoroethane?
You can request a quote for 1,1,1,2-Tetrachloro-2,2-difluoroethane 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-Tetrachloro-2,2-difluoroethane?
Yes, KEHONG BIO provides custom synthesis services for 1,1,1,2-Tetrachloro-2,2-difluoroethane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.