3-硝基氯苯
TL;DR: 3-硝基氯苯 (CAS 121-73-3) is a chemical compound with molecular formula C6H4ClNO2 and molecular weight 156.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-硝基氯苯
1-chloro-3-nitrobenzene
Also Known As: 1-Chloro-3-nitrobenzene, m-Chloronitrobenzene, 3-Nitrochlorobenzene, m-Nitrochlorobenzene, 3-Chloronitrobenzene
| Molecular Formula | C6H4ClNO2 |
|---|---|
| Molecular Weight | 156.99 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 156.99306 |
| Heavy Atoms | 10 |
| Complexity | 134.0 |
| Melting Point | 46.1 °C |
| Boiling Point | 455 to 236.1 °C at 760 mmHg |
| Density | 1.343 |
| Solubility | Insoluble (NTP, 1992) |
| Flash Point | 127.2 °C (NFPA, 2010) |
| Vapor Pressure | 0.09 [mmHg] |
| Refractive Index | 1.5374 at 80 °C, alpha |
Chemical Identifiers
| CAS Number | 121-73-3 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)[N+](=O)[O-] |
| InChIKey | KMAQZIILEGKYQZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-硝基氯苯 (CAS 121-73-3), with molecular formula C6H4ClNO2 and molecular weight 156.99 g/mol. IUPAC: 1-chloro-3-nitrobenzene.
Chemical Property Profile of 3-硝基氯苯
Property Insights of 3-硝基氯苯
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-硝基氯苯. With a topological polar surface area (TPSA) of 45.8 Ų, 3-硝基氯苯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-硝基氯苯 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 3-硝基氯苯?
The CAS number of 3-硝基氯苯 is 121-73-3.
What is the molecular formula of 3-硝基氯苯?
The molecular formula of 3-硝基氯苯 is C6H4ClNO2.
What is the molecular weight of 3-硝基氯苯?
The molecular weight of 3-硝基氯苯 is 156.99 g/mol.
Where can I buy 3-硝基氯苯?
You can request a quote for 3-硝基氯苯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-硝基氯苯?
Yes, KEHONG BIO provides custom synthesis services for 3-硝基氯苯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.