beta-Bromo-beta-nitrostyrene
TL;DR: beta-Bromo-beta-nitrostyrene (CAS 7166-19-0) is a chemical compound with molecular formula C8H6BrNO2 and molecular weight 226.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-bromo-2-nitroethenyl)benzene
Also Known As: Bromonitrostyrene, Slime-trol, Giv-gard, Giv-cide BNS, Giv-gard BNS
| Molecular Formula | C8H6BrNO2 |
|---|---|
| Molecular Weight | 226.96 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 226.95819 |
| Heavy Atoms | 12 |
| Complexity | 192.0 |
| Melting Point | 153 to 68.9 °C |
| Density | 1.018 at 21.4 °C |
| Solubility | less than 1 mg/mL at 72 °F (NTP, 1992) |
| Flash Point | 54.4 °C |
Chemical Identifiers
| CAS Number | 7166-19-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C=C([N+](=O)[O-])Br |
| InChIKey | SKDNDVDHYMEGNJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
beta-Bromo-beta-nitrostyrene (CAS 7166-19-0), with molecular formula C8H6BrNO2 and molecular weight 226.96 g/mol. IUPAC: (2-bromo-2-nitroethenyl)benzene.
Chemical Property Profile of beta-Bromo-beta-nitrostyrene
Property Insights of beta-Bromo-beta-nitrostyrene
The XLogP value of 3.0 indicates that beta-Bromo-beta-nitrostyrene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.8 Ų, beta-Bromo-beta-nitrostyrene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, beta-Bromo-beta-nitrostyrene 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 beta-Bromo-beta-nitrostyrene?
The CAS number of beta-Bromo-beta-nitrostyrene is 7166-19-0.
What is the molecular formula of beta-Bromo-beta-nitrostyrene?
The molecular formula of beta-Bromo-beta-nitrostyrene is C8H6BrNO2.
What is the molecular weight of beta-Bromo-beta-nitrostyrene?
The molecular weight of beta-Bromo-beta-nitrostyrene is 226.96 g/mol.
Where can I buy beta-Bromo-beta-nitrostyrene?
You can request a quote for beta-Bromo-beta-nitrostyrene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for beta-Bromo-beta-nitrostyrene?
Yes, KEHONG BIO provides custom synthesis services for beta-Bromo-beta-nitrostyrene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.