1-Nitroethylbenzene
TL;DR: 1-Nitroethylbenzene (CAS 7214-61-1) is a chemical compound with molecular formula C8H9NO2 and molecular weight 151.06332 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-nitroethylbenzene
Also Known As: 1-nitroethylbenzene, (1-NITROETHYL)BENZENE, Phenylnitroethane, benzene, 1-Nitro-1-phenylethane
Application Areas
Top 5 of 12 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H9NO2 |
| Molecular Weight | 151.06332 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 151.06332 Da |
| Heavy Atoms | 11 |
| Complexity | 136.0 |
| SMILES | CC(C1=CC=CC=C1)[N+](=O)[O-] |
| InChIKey | GJOVHPKYFFGKCY-UHFFFAOYSA-N |
Chemical Property Profile of 1-Nitroethylbenzene
Property Insights of 1-Nitroethylbenzene
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Nitroethylbenzene. With a topological polar surface area (TPSA) of 45.8 Ų, 1-Nitroethylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Nitroethylbenzene 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-Nitroethylbenzene?
The CAS number of 1-Nitroethylbenzene is 7214-61-1.
What is the molecular formula of 1-Nitroethylbenzene?
The molecular formula of 1-Nitroethylbenzene is C8H9NO2.
What is the molecular weight of 1-Nitroethylbenzene?
The molecular weight of 1-Nitroethylbenzene is 151.06332 g/mol.
Where can I buy 1-Nitroethylbenzene?
You can request a quote for 1-Nitroethylbenzene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Nitroethylbenzene?
Yes, CoreyChem provides custom synthesis services for 1-Nitroethylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.