1,2-Bis(dibromomethyl)-4-nitrobenzene
TL;DR: 1,2-Bis(dibromomethyl)-4-nitrobenzene (CAS 13209-16-0) is a chemical compound with molecular formula C8H5Br4NO2 and molecular weight 462.71 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2-bis(dibromomethyl)-4-nitrobenzene
Also Known As: 1,2-Bis(dibromomethyl)-4-nitrobenzene, 3-Methyl-6-nitrocoumarin, 4-Nitro-alpha,alpha,alpha',alpha'-tetrabromo-o-xylene, 3,4-Bis(dibromomethyl)nitrobenzene, Benzene, 1,2-bis(dibromomethyl)-4-nitro-
| Molecular Formula | C8H5Br4NO2 |
|---|---|
| Molecular Weight | 462.71 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 462.70538 |
| Heavy Atoms | 15 |
| Complexity | 231.0 |
Chemical Identifiers
| CAS Number | 13209-16-0 |
|---|---|
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])C(Br)Br)C(Br)Br |
| InChIKey | KYHYXMVGEXICQQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2-Bis(dibromomethyl)-4-nitrobenzene (CAS 13209-16-0), with molecular formula C8H5Br4NO2 and molecular weight 462.71 g/mol. IUPAC: 1,2-bis(dibromomethyl)-4-nitrobenzene.
Chemical Property Profile of 1,2-Bis(dibromomethyl)-4-nitrobenzene
Property Insights of 1,2-Bis(dibromomethyl)-4-nitrobenzene
The XLogP value of 4.7 indicates that 1,2-Bis(dibromomethyl)-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, 1,2-Bis(dibromomethyl)-4-nitrobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Bis(dibromomethyl)-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 1,2-Bis(dibromomethyl)-4-nitrobenzene?
The CAS number of 1,2-Bis(dibromomethyl)-4-nitrobenzene is 13209-16-0.
What is the molecular formula of 1,2-Bis(dibromomethyl)-4-nitrobenzene?
The molecular formula of 1,2-Bis(dibromomethyl)-4-nitrobenzene is C8H5Br4NO2.
What is the molecular weight of 1,2-Bis(dibromomethyl)-4-nitrobenzene?
The molecular weight of 1,2-Bis(dibromomethyl)-4-nitrobenzene is 462.71 g/mol.
Where can I buy 1,2-Bis(dibromomethyl)-4-nitrobenzene?
You can request a quote for 1,2-Bis(dibromomethyl)-4-nitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Bis(dibromomethyl)-4-nitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Bis(dibromomethyl)-4-nitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.