3-溴联苯
TL;DR: 3-溴联苯 (CAS 2113-57-7) is a chemical compound with molecular formula C12H9Br and molecular weight 231.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-溴联苯
1-bromo-3-phenylbenzene
Also Known As: 3-BROMOBIPHENYL, 3-Bromo-1,1'-biphenyl, 1-bromo-3-phenylbenzene, 3-Bromo-biphenyl, m-Bromobiphenyl
| Molecular Formula | C12H9Br |
|---|---|
| Molecular Weight | 231.99 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 231.98875 |
| Heavy Atoms | 13 |
| Complexity | 149.0 |
| Boiling Point | 570 to 301.1 °C at 760 mmHg |
| Solubility | Insoluble (NTP, 1992) |
Chemical Identifiers
| CAS Number | 2113-57-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CC(=CC=C2)Br |
| InChIKey | USYQKCQEVBFJRP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-溴联苯 (CAS 2113-57-7), with molecular formula C12H9Br and molecular weight 231.99 g/mol. IUPAC: 1-bromo-3-phenylbenzene.
Chemical Property Profile of 3-溴联苯
Property Insights of 3-溴联苯
The XLogP value of 4.6 indicates that 3-溴联苯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 3-溴联苯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-溴联苯 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 3-溴联苯?
The CAS number of 3-溴联苯 is 2113-57-7.
What is the molecular formula of 3-溴联苯?
The molecular formula of 3-溴联苯 is C12H9Br.
What is the molecular weight of 3-溴联苯?
The molecular weight of 3-溴联苯 is 231.99 g/mol.
Where can I buy 3-溴联苯?
You can request a quote for 3-溴联苯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-溴联苯?
Yes, KEHONG BIO provides custom synthesis services for 3-溴联苯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.