4-硝基溴苯
TL;DR: 4-硝基溴苯 (CAS 586-78-7) is a chemical compound with molecular formula C6H4BrNO2 and molecular weight 200.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-硝基溴苯
1-bromo-4-nitrobenzene
Also Known As: 1-Bromo-4-nitrobenzene, 4-Bromonitrobenzene, 4-Nitrobromobenzene, P-BROMONITROBENZENE, p-Nitrobromobenzene
| Molecular Formula | C6H4BrNO2 |
|---|---|
| Molecular Weight | 200.94 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 200.94254 |
| Heavy Atoms | 10 |
| Complexity | 126.0 |
| Vapor Pressure | 0.00989 [mmHg] |
Chemical Identifiers
| CAS Number | 586-78-7 |
|---|---|
| SMILES | C1=CC(=CC=C1[N+](=O)[O-])Br |
| InChIKey | ZDFBKZUDCQQKAC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-硝基溴苯 (CAS 586-78-7), with molecular formula C6H4BrNO2 and molecular weight 200.94 g/mol. IUPAC: 1-bromo-4-nitrobenzene.
Chemical Property Profile of 4-硝基溴苯
Property Insights of 4-硝基溴苯
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-硝基溴苯. With a topological polar surface area (TPSA) of 45.8 Ų, 4-硝基溴苯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-硝基溴苯 has 0 hydrogen bond donor(s) and 2 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 4-硝基溴苯?
The CAS number of 4-硝基溴苯 is 586-78-7.
What is the molecular formula of 4-硝基溴苯?
The molecular formula of 4-硝基溴苯 is C6H4BrNO2.
What is the molecular weight of 4-硝基溴苯?
The molecular weight of 4-硝基溴苯 is 200.94 g/mol.
Where can I buy 4-硝基溴苯?
You can request a quote for 4-硝基溴苯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-硝基溴苯?
Yes, KEHONG BIO provides custom synthesis services for 4-硝基溴苯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.