(1-Bromoethyl)benzene
TL;DR: (1-Bromoethyl)benzene (CAS 585-71-7) is a chemical compound with molecular formula C8H9Br and molecular weight 183.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-bromoethylbenzene
Also Known As: (1-BROMOETHYL)BENZENE, 1-bromoethylbenzene, 1-Phenylethyl bromide, 1-Phenethyl bromide, 1-Bromo-1-phenylethane
| Molecular Formula | C8H9Br |
|---|---|
| Molecular Weight | 183.99 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 183.98875 |
| Heavy Atoms | 9 |
| Complexity | 74.0 |
| Melting Point | -65 °C |
| Boiling Point | 94 °C at 16 mm Hg |
| Density | Density = 1.356 |
| Solubility | SOL IN ALC & ETHER /DL & D FORMS/ |
| Flash Point | 96 °C |
| Refractive Index | 1.5612 @ 20 °C /DL & D FORMS/ |
Chemical Identifiers
| CAS Number | 585-71-7 |
|---|---|
| SMILES | CC(C1=CC=CC=C1)Br |
| InChIKey | CRRUGYDDEMGVDY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(1-Bromoethyl)benzene (CAS 585-71-7), with molecular formula C8H9Br and molecular weight 183.99 g/mol. IUPAC: 1-bromoethylbenzene.
Chemical Property Profile of (1-Bromoethyl)benzene
Property Insights of (1-Bromoethyl)benzene
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1-Bromoethyl)benzene. With a topological polar surface area (TPSA) of 0.0 Ų, (1-Bromoethyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1-Bromoethyl)benzene 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
Frequently Asked Questions
What is the CAS number of (1-Bromoethyl)benzene?
The CAS number of (1-Bromoethyl)benzene is 585-71-7.
What is the molecular formula of (1-Bromoethyl)benzene?
The molecular formula of (1-Bromoethyl)benzene is C8H9Br.
What is the molecular weight of (1-Bromoethyl)benzene?
The molecular weight of (1-Bromoethyl)benzene is 183.99 g/mol.
Where can I buy (1-Bromoethyl)benzene?
You can request a quote for (1-Bromoethyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1-Bromoethyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for (1-Bromoethyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.