Benzene, 1-bromo-3-iodo-
TL;DR: Benzene, 1-bromo-3-iodo- (CAS 591-18-4) is a chemical compound with molecular formula C6H4BrI and molecular weight 281.85 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-bromo-3-iodobenzene
Also Known As: 1-BROMO-3-IODOBENZENE, 3-Bromoiodobenzene, m-Bromoiodobenzene, Benzene, 1-bromo-3-iodo-, 3-bromo-1-iodobenzene
| Molecular Formula | C6H4BrI |
|---|---|
| Molecular Weight | 281.85 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 281.8541 |
| Heavy Atoms | 8 |
| Complexity | 74.0 |
Chemical Identifiers
| CAS Number | 591-18-4 |
|---|---|
| SMILES | C1=CC(=CC(=C1)I)Br |
| InChIKey | CTPUUDQIXKUAMO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene, 1-bromo-3-iodo- (CAS 591-18-4), with molecular formula C6H4BrI and molecular weight 281.85 g/mol. IUPAC: 1-bromo-3-iodobenzene.
Chemical Property Profile of Benzene, 1-bromo-3-iodo-
Property Insights of Benzene, 1-bromo-3-iodo-
The XLogP value of 4.0 indicates that Benzene, 1-bromo-3-iodo- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Benzene, 1-bromo-3-iodo- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 1-bromo-3-iodo- 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 Benzene, 1-bromo-3-iodo-?
The CAS number of Benzene, 1-bromo-3-iodo- is 591-18-4.
What is the molecular formula of Benzene, 1-bromo-3-iodo-?
The molecular formula of Benzene, 1-bromo-3-iodo- is C6H4BrI.
What is the molecular weight of Benzene, 1-bromo-3-iodo-?
The molecular weight of Benzene, 1-bromo-3-iodo- is 281.85 g/mol.
Where can I buy Benzene, 1-bromo-3-iodo-?
You can request a quote for Benzene, 1-bromo-3-iodo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 1-bromo-3-iodo-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1-bromo-3-iodo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.