1-Ethenyl-4-nitrobenzene
TL;DR: 1-Ethenyl-4-nitrobenzene (CAS 100-13-0) is a chemical compound with molecular formula C8H7NO2 and molecular weight 149.04768 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-ethenyl-4-nitrobenzene
Also Known As: 4-Nitrostyrene, 1-Nitro-4-vinylbenzene, p-Nitrostyrene, 1-Ethenyl-4-nitrobenzene, diethylsulfone
Application Areas
Top 5 of 19 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H7NO2 |
| Molecular Weight | 149.04768 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 149.04768 Da |
| Heavy Atoms | 11 |
| Complexity | 154.0 |
| SMILES | C=CC1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | YFZHODLXYNDBSM-UHFFFAOYSA-N |
Product Description
Applications: 1-Ethenyl-4-nitrobenzene is used in imaging, photographic, and photosensitive formulations, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 1-Ethenyl-4-nitrobenzene (CAS 100-13-0) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
1-Ethenyl-4-nitrobenzene (CAS 100-13-0) is a photographic chemical with the molecular formula C8H7NO2 and a molecular weight of 149.05 g/mol. It is also known as 4-Nitrostyrene and 1-Nitro-4-vinylbenzene.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 1-Ethenyl-4-nitrobenzene
Property Insights of 1-Ethenyl-4-nitrobenzene
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Ethenyl-4-nitrobenzene. With a topological polar surface area (TPSA) of 45.8 Ų, 1-Ethenyl-4-nitrobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Ethenyl-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-Ethenyl-4-nitrobenzene?
The CAS number of 1-Ethenyl-4-nitrobenzene is 100-13-0.
What is the molecular formula of 1-Ethenyl-4-nitrobenzene?
The molecular formula of 1-Ethenyl-4-nitrobenzene is C8H7NO2.
What is the molecular weight of 1-Ethenyl-4-nitrobenzene?
The molecular weight of 1-Ethenyl-4-nitrobenzene is 149.04768 g/mol.
What are the applications of 1-Ethenyl-4-nitrobenzene?
1-Ethenyl-4-nitrobenzene is used in imaging, photographic, and photosensitive formulations, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 1-Ethenyl-4-nitrobenzene (CAS 100-13-0) with...
Where can I buy 1-Ethenyl-4-nitrobenzene?
You can request a quote for 1-Ethenyl-4-nitrobenzene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Ethenyl-4-nitrobenzene?
Yes, CoreyChem provides custom synthesis services for 1-Ethenyl-4-nitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.