1-氯-3-溴苯
TL;DR: 1-氯-3-溴苯 (CAS 108-37-2) is a chemical compound with molecular formula C6H4BrCl and molecular weight 189.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-氯-3-溴苯
1-bromo-3-chlorobenzene
Also Known As: 1-Bromo-3-chlorobenzene, 3-BROMOCHLOROBENZENE, m-Bromochlorobenzene, 3-Chlorobromobenzene, m-Chlorobromobenzene
| Molecular Formula | C6H4BrCl |
|---|---|
| Molecular Weight | 189.92 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 189.91849 |
| Heavy Atoms | 8 |
| Complexity | 74.0 |
| Melting Point | -21.5 °C |
| Boiling Point | 196 °C @760 [mm Hg] |
| Density | 1.6302 @ 20°C |
Chemical Identifiers
| CAS Number | 108-37-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Br)Cl |
| InChIKey | JRGGUPZKKTVKOV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-氯-3-溴苯 (CAS 108-37-2), with molecular formula C6H4BrCl and molecular weight 189.92 g/mol. IUPAC: 1-bromo-3-chlorobenzene.
Chemical Property Profile of 1-氯-3-溴苯
Property Insights of 1-氯-3-溴苯
The XLogP value of 3.7 indicates that 1-氯-3-溴苯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1-氯-3-溴苯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-氯-3-溴苯 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 1-氯-3-溴苯?
The CAS number of 1-氯-3-溴苯 is 108-37-2.
What is the molecular formula of 1-氯-3-溴苯?
The molecular formula of 1-氯-3-溴苯 is C6H4BrCl.
What is the molecular weight of 1-氯-3-溴苯?
The molecular weight of 1-氯-3-溴苯 is 189.92 g/mol.
Where can I buy 1-氯-3-溴苯?
You can request a quote for 1-氯-3-溴苯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-氯-3-溴苯?
Yes, KEHONG BIO provides custom synthesis services for 1-氯-3-溴苯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.