1,4-Bis(chloromethyl)-2-nitrobenzene
TL;DR: 1,4-Bis(chloromethyl)-2-nitrobenzene (CAS 16255-50-8) is a chemical compound with molecular formula C8H7Cl2NO2 and molecular weight 218.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-bis(chloromethyl)-2-nitrobenzene
Also Known As: 1,4-bis(chloromethyl)-2-nitrobenzene, Benzene, 1,4-bis(chloromethyl)-2-nitro-, 1,4-bis-chloromethyl-2-nitro-benzene, 1,4-bis(chloromethyl)-2-nitro-benzene, NCI60_004281
| Molecular Formula | C8H7Cl2NO2 |
|---|---|
| Molecular Weight | 218.99 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 218.98538 |
| Heavy Atoms | 13 |
| Complexity | 183.0 |
Chemical Identifiers
| CAS Number | 16255-50-8 |
|---|---|
| SMILES | C1=CC(=C(C=C1CCl)[N+](=O)[O-])CCl |
| InChIKey | AJBJABQEANMSMG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-Bis(chloromethyl)-2-nitrobenzene (CAS 16255-50-8), with molecular formula C8H7Cl2NO2 and molecular weight 218.99 g/mol. IUPAC: 1,4-bis(chloromethyl)-2-nitrobenzene.
Chemical Property Profile of 1,4-Bis(chloromethyl)-2-nitrobenzene
Property Insights of 1,4-Bis(chloromethyl)-2-nitrobenzene
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Bis(chloromethyl)-2-nitrobenzene. With a topological polar surface area (TPSA) of 45.8 Ų, 1,4-Bis(chloromethyl)-2-nitrobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Bis(chloromethyl)-2-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 1,4-Bis(chloromethyl)-2-nitrobenzene?
The CAS number of 1,4-Bis(chloromethyl)-2-nitrobenzene is 16255-50-8.
What is the molecular formula of 1,4-Bis(chloromethyl)-2-nitrobenzene?
The molecular formula of 1,4-Bis(chloromethyl)-2-nitrobenzene is C8H7Cl2NO2.
What is the molecular weight of 1,4-Bis(chloromethyl)-2-nitrobenzene?
The molecular weight of 1,4-Bis(chloromethyl)-2-nitrobenzene is 218.99 g/mol.
Where can I buy 1,4-Bis(chloromethyl)-2-nitrobenzene?
You can request a quote for 1,4-Bis(chloromethyl)-2-nitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Bis(chloromethyl)-2-nitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Bis(chloromethyl)-2-nitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.