beta-Bromostyrene
TL;DR: beta-Bromostyrene (CAS 103-64-0) is a chemical compound with molecular formula C8H7Br and molecular weight 181.97311 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-bromoethenylbenzene
Also Known As: BETA-BROMOSTYRENE, Bromostyrene, (2-Bromovinyl)benzene, Benzene, bromoethenyl-, Styryl bromide
Application Areas
Top 5 of 17 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H7Br |
| Molecular Weight | 181.97311 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 181.97311 Da |
| Heavy Atoms | 9 |
| Complexity | 90.0 |
| Melting Point | min, - 2 °C |
| Boiling Point | 112 °C at 20 mm Hg |
| Density | 1.395-1.424 |
| Flash Point | 79 °C (closed cup) |
| Vapor Pressure | 0.12 [mmHg] |
| Refractive Index | Index of refraction: 1.602-1.608 |
| Solubility | Insol in aqueous solution |
| SMILES | C1=CC=C(C=C1)C=CBr |
| InChIKey | YMOONIIMQBGTDU-UHFFFAOYSA-N |
Chemical Property Profile of beta-Bromostyrene
Property Insights of beta-Bromostyrene
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for beta-Bromostyrene. With a topological polar surface area (TPSA) of 0.0 Ų, beta-Bromostyrene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, beta-Bromostyrene 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 beta-Bromostyrene?
The CAS number of beta-Bromostyrene is 103-64-0.
What is the molecular formula of beta-Bromostyrene?
The molecular formula of beta-Bromostyrene is C8H7Br.
What is the molecular weight of beta-Bromostyrene?
The molecular weight of beta-Bromostyrene is 181.97311 g/mol.
Where can I buy beta-Bromostyrene?
You can request a quote for beta-Bromostyrene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for beta-Bromostyrene?
Yes, CoreyChem provides custom synthesis services for beta-Bromostyrene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.