1-(2-Chloroethyl)-2-(chloromethyl)-4-nitrobenzene
TL;DR: 1-(2-Chloroethyl)-2-(chloromethyl)-4-nitrobenzene (CAS 108130-11-6) is a chemical compound with molecular formula C9H9Cl2NO2 and molecular weight 233.00104 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2-chloroethyl)-2-(chloromethyl)-4-nitrobenzene
Also Known As: 1-(2-chloroethyl)-2-(chloromethyl)-4-nitrobenzene, 1-(2-chloro-ethyl)-2-chloromethyl-4-nitro-benzene
Technical Specifications
| Molecular Formula | C9H9Cl2NO2 |
| Molecular Weight | 233.00104 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 233.00104 Da |
| Heavy Atoms | 14 |
| Complexity | 196.0 |
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])CCl)CCCl |
| InChIKey | LOWBTOGNTTUXRI-UHFFFAOYSA-N |
Chemical Property Profile of 1-(2-Chloroethyl)-2-(chloromethyl)-4-nitrobenzene
Property Insights of 1-(2-Chloroethyl)-2-(chloromethyl)-4-nitrobenzene
The XLogP value of 3.0 indicates that 1-(2-Chloroethyl)-2-(chloromethyl)-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-Chloroethyl)-2-(chloromethyl)-4-nitrobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Chloroethyl)-2-(chloromethyl)-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
What is the CAS number of 1-(2-Chloroethyl)-2-(chloromethyl)-4-nitrobenzene?
The CAS number of 1-(2-Chloroethyl)-2-(chloromethyl)-4-nitrobenzene is 108130-11-6.
What is the molecular formula of 1-(2-Chloroethyl)-2-(chloromethyl)-4-nitrobenzene?
The molecular formula of 1-(2-Chloroethyl)-2-(chloromethyl)-4-nitrobenzene is C9H9Cl2NO2.
What is the molecular weight of 1-(2-Chloroethyl)-2-(chloromethyl)-4-nitrobenzene?
The molecular weight of 1-(2-Chloroethyl)-2-(chloromethyl)-4-nitrobenzene is 233.00104 g/mol.
Where can I buy 1-(2-Chloroethyl)-2-(chloromethyl)-4-nitrobenzene?
You can request a quote for 1-(2-Chloroethyl)-2-(chloromethyl)-4-nitrobenzene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(2-Chloroethyl)-2-(chloromethyl)-4-nitrobenzene?
Yes, CoreyChem provides custom synthesis services for 1-(2-Chloroethyl)-2-(chloromethyl)-4-nitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.