1-Bromo-2-chloro-4-nitrobenzene
TL;DR: 1-Bromo-2-chloro-4-nitrobenzene (CAS 29682-39-1) is a chemical compound with molecular formula C6H3BrClNO2 and molecular weight 234.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-bromo-2-chloro-4-nitrobenzene
Also Known As: 1-BROMO-2-CHLORO-4-NITROBENZENE, 4-Bromo-3-chloronitrobenzene, Benzene, 1-bromo-2-chloro-4-nitro-, 2-chloro-4-nitro-bromobenzene, 4-bromo-3-chloro-nitrobenzene
| Molecular Formula | C6H3BrClNO2 |
|---|---|
| Molecular Weight | 234.90 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 234.90356 |
| Heavy Atoms | 11 |
| Complexity | 161.0 |
Chemical Identifiers
| CAS Number | 29682-39-1 |
|---|---|
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])Cl)Br |
| InChIKey | YKSXEJZFIQAUHJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Bromo-2-chloro-4-nitrobenzene (CAS 29682-39-1), with molecular formula C6H3BrClNO2 and molecular weight 234.90 g/mol. IUPAC: 1-bromo-2-chloro-4-nitrobenzene.
Chemical Property Profile of 1-Bromo-2-chloro-4-nitrobenzene
Property Insights of 1-Bromo-2-chloro-4-nitrobenzene
The XLogP value of 3.2 indicates that 1-Bromo-2-chloro-4-nitrobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.8 Ų, 1-Bromo-2-chloro-4-nitrobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Bromo-2-chloro-4-nitrobenzene 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 1-Bromo-2-chloro-4-nitrobenzene?
The CAS number of 1-Bromo-2-chloro-4-nitrobenzene is 29682-39-1.
What is the molecular formula of 1-Bromo-2-chloro-4-nitrobenzene?
The molecular formula of 1-Bromo-2-chloro-4-nitrobenzene is C6H3BrClNO2.
What is the molecular weight of 1-Bromo-2-chloro-4-nitrobenzene?
The molecular weight of 1-Bromo-2-chloro-4-nitrobenzene is 234.90 g/mol.
Where can I buy 1-Bromo-2-chloro-4-nitrobenzene?
You can request a quote for 1-Bromo-2-chloro-4-nitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Bromo-2-chloro-4-nitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Bromo-2-chloro-4-nitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.