1-Chloro-3-nitrobenzene
TL;DR: 1-Chloro-3-nitrobenzene (CAS 121-73-3) is a chemical compound with molecular formula C6H4ClNO2 and molecular weight 156.99306 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-chloro-3-nitrobenzene
Also Known As: 1-Chloro-3-nitrobenzene, m-Chloronitrobenzene, 3-Nitrochlorobenzene, m-Nitrochlorobenzene, 3-Chloronitrobenzene
Application Areas
Top 5 of 14 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H4ClNO2 |
| Molecular Weight | 156.99306 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 156.99306 Da |
| Heavy Atoms | 10 |
| Complexity | 134.0 |
| Melting Point | 115 °F (NTP, 1992) |
| Boiling Point | 455 to 457 °F at 760 mmHg (NTP, 1992) |
| Density | 1.343 (NTP, 1992) - Denser than water; will sink |
| Flash Point | 261 °F (NFPA, 2010) |
| Vapor Pressure | 0.09 [mmHg] |
| Refractive Index | Index of refraction: 1.5374 at 80 °C, alpha |
| Solubility | Insoluble (NTP, 1992) |
| SMILES | C1=CC(=CC(=C1)Cl)[N+](=O)[O-] |
| InChIKey | KMAQZIILEGKYQZ-UHFFFAOYSA-N |
Product Description
Applications: 1-Chloro-3-nitrobenzene is used in complex organic molecule assembly across discovery and process chemistry, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 1-Chloro-3-nitrobenzene (CAS 121-73-3) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A organic building block supplied by CoreyChem, 1-Chloro-3-nitrobenzene (CAS 121-73-3) has the molecular formula C6H4ClNO2 and a molecular weight of 156.99 g/mol. Reported properties include a density of 1.343 (NTP, 1992) - Denser than water; will sink g/cm³, a solubility: Insoluble (NTP, 1992). It is also known as 1-Chloro-3-nitrobenzene and m-Chloronitrobenzene.
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-Chloro-3-nitrobenzene
Property Insights of 1-Chloro-3-nitrobenzene
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Chloro-3-nitrobenzene. With a topological polar surface area (TPSA) of 45.8 Ų, 1-Chloro-3-nitrobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Chloro-3-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-Chloro-3-nitrobenzene?
The CAS number of 1-Chloro-3-nitrobenzene is 121-73-3.
What is the molecular formula of 1-Chloro-3-nitrobenzene?
The molecular formula of 1-Chloro-3-nitrobenzene is C6H4ClNO2.
What is the molecular weight of 1-Chloro-3-nitrobenzene?
The molecular weight of 1-Chloro-3-nitrobenzene is 156.99306 g/mol.
What are the applications of 1-Chloro-3-nitrobenzene?
1-Chloro-3-nitrobenzene is used in complex organic molecule assembly across discovery and process chemistry, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies...
Where can I buy 1-Chloro-3-nitrobenzene?
You can request a quote for 1-Chloro-3-nitrobenzene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Chloro-3-nitrobenzene?
Yes, CoreyChem provides custom synthesis services for 1-Chloro-3-nitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.