1-(2,2-Dichloroethenyl)-4-nitrobenzene
TL;DR: 1-(2,2-Dichloroethenyl)-4-nitrobenzene (CAS 5281-22-1) is a chemical compound with molecular formula C8H5Cl2NO2 and molecular weight 216.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,2-dichloroethenyl)-4-nitrobenzene
Also Known As: dichloro-p-nitrostyrene, 1-(2,2-dichloroethenyl)-4-nitrobenzene, 1-(2,2-dichlorovinyl)-4-nitrobenzene, beta,beta-Dichloro-4-nitrostyrene, 1-Nitro-4-(2,2-dichlorovinyl)benzene
| Molecular Formula | C8H5Cl2NO2 |
|---|---|
| Molecular Weight | 216.97 g/mol |
| LogP | 3.3708 |
| Topological Polar Surface Area | 43.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 216.96973 |
| Heavy Atoms | 13 |
| Complexity | 341.6666 |
Chemical Identifiers
| CAS Number | 5281-22-1 |
|---|---|
| SMILES | C1=CC(=CC=C1C=C(Cl)Cl)[N+](=O)[O-] |
Product Overview
1-(2,2-Dichloroethenyl)-4-nitrobenzene (CAS 5281-22-1), with molecular formula C8H5Cl2NO2 and molecular weight 216.97 g/mol. IUPAC: 1-(2,2-dichloroethenyl)-4-nitrobenzene.
Chemical Property Profile of 1-(2,2-Dichloroethenyl)-4-nitrobenzene
Property Insights of 1-(2,2-Dichloroethenyl)-4-nitrobenzene
The XLogP value of 3.3708 indicates that 1-(2,2-Dichloroethenyl)-4-nitrobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.14 Ų, 1-(2,2-Dichloroethenyl)-4-nitrobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2,2-Dichloroethenyl)-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-(2,2-Dichloroethenyl)-4-nitrobenzene?
The CAS number of 1-(2,2-Dichloroethenyl)-4-nitrobenzene is 5281-22-1.
What is the molecular formula of 1-(2,2-Dichloroethenyl)-4-nitrobenzene?
The molecular formula of 1-(2,2-Dichloroethenyl)-4-nitrobenzene is C8H5Cl2NO2.
What is the molecular weight of 1-(2,2-Dichloroethenyl)-4-nitrobenzene?
The molecular weight of 1-(2,2-Dichloroethenyl)-4-nitrobenzene is 216.97 g/mol.
Where can I buy 1-(2,2-Dichloroethenyl)-4-nitrobenzene?
You can request a quote for 1-(2,2-Dichloroethenyl)-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-(2,2-Dichloroethenyl)-4-nitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-(2,2-Dichloroethenyl)-4-nitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.