Bromobenzene
TL;DR: Bromobenzene (CAS 108-86-1) is a chemical compound with molecular formula C6H5Br and molecular weight 155.95746 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
bromobenzene
Also Known As: BROMOBENZENE, Monobromobenzene, Phenyl bromide, Benzene, bromo-, 1-Bromobenzene
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H5Br |
| Molecular Weight | 155.95746 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 155.95746 Da |
| Heavy Atoms | 7 |
| Complexity | 46.0 |
| Melting Point | -24 °F (NTP, 1992) |
| Boiling Point | 313 °F at 760 mmHg (NTP, 1992) |
| Density | 1.49 at 77 °F (USCG, 1999) - Denser than water; will sink |
| Flash Point | 123.8 °F (NTP, 1992) |
| Vapor Pressure | 5 mmHg at 82 °F ; 10 mmHg at 104 °F; 20 mmHg at 128.8 °F (NTP, 1992) |
| Refractive Index | INDEX OF REFRACTION: 1.565 @ 15 °C/D; 1.5602 @ 20 °C/D |
| Solubility | less than 1 mg/mL at 68.9 °F (NTP, 1992) |
| SMILES | C1=CC=C(C=C1)Br |
| InChIKey | QARVLSVVCXYDNA-UHFFFAOYSA-N |
Chemical Property Profile of Bromobenzene
Property Insights of Bromobenzene
The XLogP value of 3.0 indicates that Bromobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Bromobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bromobenzene 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 Bromobenzene?
The CAS number of Bromobenzene is 108-86-1.
What is the molecular formula of Bromobenzene?
The molecular formula of Bromobenzene is C6H5Br.
What is the molecular weight of Bromobenzene?
The molecular weight of Bromobenzene is 155.95746 g/mol.
Where can I buy Bromobenzene?
You can request a quote for Bromobenzene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Bromobenzene?
Yes, CoreyChem provides custom synthesis services for Bromobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.