1,1-Dibromoethane
TL;DR: 1,1-Dibromoethane (CAS 557-91-5) is a chemical compound with molecular formula C2H4Br2 and molecular weight 185.86798 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,1-dibromoethane
Also Known As: 1,1-DIBROMOETHANE, Ethylidene bromide, DIBROMOETHANE, Ethylidene dibromide, Ethane, 1,1-dibromo-
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C2H4Br2 |
| Molecular Weight | 185.86798 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 187.86594 Da |
| Heavy Atoms | 4 |
| Complexity | 11.0 |
| Melting Point | -63 °C |
| Boiling Point | 108.0 °C |
| Density | 2.0555 g/cu cm at 20 °C |
| Vapor Pressure | 25.6 [mmHg] |
| Refractive Index | Index of refraction = 1.5128 at 20 °C |
| Solubility | Soluble in ethanol, acetone, and benzene; slightly soluble in chloroform; very soluble in ether. |
| SMILES | CC(Br)Br |
| InChIKey | APQIUTYORBAGEZ-UHFFFAOYSA-N |
Product Description
Applications: 1,1-Dibromoethane is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
1,1-Dibromoethane (CAS 557-91-5) is a heterocyclic building block with the molecular formula C2H4Br2 and a molecular weight of 185.87 g/mol. Key physical properties include a density of 2.0555 g/cu cm at 20 °C g/cm³, a solubility: Soluble in ethanol, acetone, and benzene; slightly soluble in chloroform; very soluble in ether. Synonyms include 1,1-DIBROMOETHANE and Ethylidene bromide.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 1,1-Dibromoethane
Property Insights of 1,1-Dibromoethane
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1-Dibromoethane. With a topological polar surface area (TPSA) of 0.0 Ų, 1,1-Dibromoethane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1-Dibromoethane 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
What is the CAS number of 1,1-Dibromoethane?
The CAS number of 1,1-Dibromoethane is 557-91-5.
What is the molecular formula of 1,1-Dibromoethane?
The molecular formula of 1,1-Dibromoethane is C2H4Br2.
What is the molecular weight of 1,1-Dibromoethane?
The molecular weight of 1,1-Dibromoethane is 185.86798 g/mol.
What are the applications of 1,1-Dibromoethane?
1,1-Dibromoethane is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy 1,1-Dibromoethane?
You can request a quote for 1,1-Dibromoethane directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,1-Dibromoethane?
Yes, CoreyChem provides custom synthesis services for 1,1-Dibromoethane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.