1-Bromo-2-chlorobenzene
TL;DR: 1-Bromo-2-chlorobenzene (CAS 694-80-4) 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-bromo-2-chlorobenzene
Also Known As: 1-Bromo-2-chlorobenzene, 2-BROMOCHLOROBENZENE, o-Bromochlorobenzene, Bromochlorobenzene, 2-Chlorobromobenzene
| Molecular Formula | C6H4BrCl |
|---|---|
| Molecular Weight | 189.92 g/mol |
| LogP | 3.2 |
| 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 |
Chemical Identifiers
| CAS Number | 694-80-4 |
|---|---|
| SMILES | C1=CC=C(C(=C1)Cl)Br |
| InChIKey | QBELEDRHMPMKHP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Bromo-2-chlorobenzene (CAS 694-80-4), with molecular formula C6H4BrCl and molecular weight 189.92 g/mol. IUPAC: 1-bromo-2-chlorobenzene.
Chemical Property Profile of 1-Bromo-2-chlorobenzene
Property Insights of 1-Bromo-2-chlorobenzene
The XLogP value of 3.2 indicates that 1-Bromo-2-chlorobenzene 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-Bromo-2-chlorobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Bromo-2-chlorobenzene 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-Bromo-2-chlorobenzene?
The CAS number of 1-Bromo-2-chlorobenzene is 694-80-4.
What is the molecular formula of 1-Bromo-2-chlorobenzene?
The molecular formula of 1-Bromo-2-chlorobenzene is C6H4BrCl.
What is the molecular weight of 1-Bromo-2-chlorobenzene?
The molecular weight of 1-Bromo-2-chlorobenzene is 189.92 g/mol.
Where can I buy 1-Bromo-2-chlorobenzene?
You can request a quote for 1-Bromo-2-chlorobenzene 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-chlorobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Bromo-2-chlorobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.