1-(1-Chloroethenyl)-4-nitrobenzene
TL;DR: 1-(1-Chloroethenyl)-4-nitrobenzene (CAS 10140-97-3) is a chemical compound with molecular formula C8H6ClNO2 and molecular weight 183.00871 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(1-chloroethenyl)-4-nitrobenzene
Also Known As: alpha-Chloro-p-nitrostyrene, Styrene, alpha-chloro-p-nitro-, 6-Chlorethylhexanoat, 1-(1-chloroethenyl)-4-nitrobenzene, alpha-Chloro-4-nitrostyrene
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H6ClNO2 |
| Molecular Weight | 183.00871 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 183.00871 Da |
| Heavy Atoms | 12 |
| Complexity | 192.0 |
| SMILES | C=C(C1=CC=C(C=C1)[N+](=O)[O-])Cl |
| InChIKey | XTDAYGDHDWTKHX-UHFFFAOYSA-N |
Chemical Property Profile of 1-(1-Chloroethenyl)-4-nitrobenzene
Property Insights of 1-(1-Chloroethenyl)-4-nitrobenzene
The XLogP value of 3.2 indicates that 1-(1-Chloroethenyl)-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-(1-Chloroethenyl)-4-nitrobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1-Chloroethenyl)-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-(1-Chloroethenyl)-4-nitrobenzene?
The CAS number of 1-(1-Chloroethenyl)-4-nitrobenzene is 10140-97-3.
What is the molecular formula of 1-(1-Chloroethenyl)-4-nitrobenzene?
The molecular formula of 1-(1-Chloroethenyl)-4-nitrobenzene is C8H6ClNO2.
What is the molecular weight of 1-(1-Chloroethenyl)-4-nitrobenzene?
The molecular weight of 1-(1-Chloroethenyl)-4-nitrobenzene is 183.00871 g/mol.
Where can I buy 1-(1-Chloroethenyl)-4-nitrobenzene?
You can request a quote for 1-(1-Chloroethenyl)-4-nitrobenzene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(1-Chloroethenyl)-4-nitrobenzene?
Yes, CoreyChem provides custom synthesis services for 1-(1-Chloroethenyl)-4-nitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.