Propargyl bromide
TL;DR: Propargyl bromide (CAS 106-96-7) is a chemical compound with molecular formula C3H3Br and molecular weight 117.94181 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-bromoprop-1-yne
Also Known As: 3-Bromopropyne, PROPARGYL BROMIDE, 3-bromoprop-1-yne, 3-Bromo-1-propyne, Propynyl bromide
Application Areas
Top 5 of 21 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C3H3Br |
| Molecular Weight | 117.94181 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 117.94181 Da |
| Heavy Atoms | 4 |
| Complexity | 38.0 |
| Melting Point | -77.9 °F (EPA, 1998) |
| Boiling Point | 190 to 194 °F at 760 mmHg (EPA, 1998) |
| Density | 1.564 to 1.57 (EPA, 1998) |
| Flash Point | 50 °F (EPA, 1998) |
| Vapor Pressure | 108.0 [mmHg] |
| Refractive Index | Index of refraction = 1.4922 at 20 °C |
| Solubility | Soluble in ethanol, ether, benzene, carbon tetrachloride, and chloroform |
| SMILES | C#CCBr |
| InChIKey | YORCIIVHUBAYBQ-UHFFFAOYSA-N |
Chemical Property Profile of Propargyl bromide
Property Insights of Propargyl bromide
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propargyl bromide. With a topological polar surface area (TPSA) of 0.0 Ų, Propargyl bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propargyl bromide 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 Propargyl bromide?
The CAS number of Propargyl bromide is 106-96-7.
What is the molecular formula of Propargyl bromide?
The molecular formula of Propargyl bromide is C3H3Br.
What is the molecular weight of Propargyl bromide?
The molecular weight of Propargyl bromide is 117.94181 g/mol.
Where can I buy Propargyl bromide?
You can request a quote for Propargyl bromide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Propargyl bromide?
Yes, CoreyChem provides custom synthesis services for Propargyl bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.