硝基苯乙烯
TL;DR: 硝基苯乙烯 (CAS 102-96-5) is a chemical compound with molecular formula C8H7NO2 and molecular weight 149.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
硝基苯乙烯
2-nitroethenylbenzene
Also Known As: (2-Nitrovinyl)benzene, Nitrostyrene, nitrostyrol, b-nitrostyrene, BETA-NITROSTYRENE
| Molecular Formula | C8H7NO2 |
|---|---|
| Molecular Weight | 149.05 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 149.04768 |
| Heavy Atoms | 11 |
| Complexity | 154.0 |
| Melting Point | 57.8 °C |
| Boiling Point | 482 to 260.0 °C at 760 mmHg |
| Density | 1.1552 at 32.2 °C |
| Solubility | less than 1 mg/mL at 73 °F (NTP, 1992) |
| Vapor Pressure | 0.01 [mmHg] |
Chemical Identifiers
| CAS Number | 102-96-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C=C[N+](=O)[O-] |
| InChIKey | PIAOLBVUVDXHHL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
硝基苯乙烯 (CAS 102-96-5), with molecular formula C8H7NO2 and molecular weight 149.05 g/mol. IUPAC: 2-nitroethenylbenzene.
Chemical Property Profile of 硝基苯乙烯
Property Insights of 硝基苯乙烯
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 硝基苯乙烯. With a topological polar surface area (TPSA) of 45.8 Ų, 硝基苯乙烯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 硝基苯乙烯 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 硝基苯乙烯?
The CAS number of 硝基苯乙烯 is 102-96-5.
What is the molecular formula of 硝基苯乙烯?
The molecular formula of 硝基苯乙烯 is C8H7NO2.
What is the molecular weight of 硝基苯乙烯?
The molecular weight of 硝基苯乙烯 is 149.05 g/mol.
Where can I buy 硝基苯乙烯?
You can request a quote for 硝基苯乙烯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 硝基苯乙烯?
Yes, KEHONG BIO provides custom synthesis services for 硝基苯乙烯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.