1-Chloro-2-nitrobenzene
TL;DR: 1-Chloro-2-nitrobenzene (CAS 88-73-3) 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-2-nitrobenzene
Also Known As: 2-Chloronitrobenzene, 1-CHLORO-2-NITROBENZENE, o-Chloronitrobenzene, 2-Nitrochlorobenzene, Chloronitrobenzene
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H4ClNO2 |
| Molecular Weight | 156.99306 g/mol |
| XLogP | 2.2 |
| 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 | 90 to 91 °F (NTP, 1992) |
| Boiling Point | 475 °F at 760 mmHg (NTP, 1992) |
| Density | 1.368 at 71.6 °F (USCG, 1999) - Denser than water; will sink |
| Flash Point | 261 °F (NTP, 1992) |
| Vapor Pressure | 0.4 mmHg at 77 °F (NTP, 1992) |
| Solubility | less than 0.1 mg/mL at 67.8 °F (NTP, 1992) |
| SMILES | C1=CC=C(C(=C1)[N+](=O)[O-])Cl |
| InChIKey | BFCFYVKQTRLZHA-UHFFFAOYSA-N |
Product Description
Applications: 1-Chloro-2-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. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
A organic building block supplied by CoreyChem, 1-Chloro-2-nitrobenzene (CAS 88-73-3) has the molecular formula C6H4ClNO2 and a molecular weight of 156.99 g/mol. Reported properties include a density of 1.368 at 71.6 °F (USCG, 1999) - Denser than water; will sink g/cm³, a solubility: less than 0.1 mg/mL at 67.8 °F (NTP, 1992). Synonyms include 2-Chloronitrobenzene and 1-CHLORO-2-NITROBENZENE.
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-2-nitrobenzene
Property Insights of 1-Chloro-2-nitrobenzene
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Chloro-2-nitrobenzene. With a topological polar surface area (TPSA) of 45.8 Ų, 1-Chloro-2-nitrobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Chloro-2-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-2-nitrobenzene?
The CAS number of 1-Chloro-2-nitrobenzene is 88-73-3.
What is the molecular formula of 1-Chloro-2-nitrobenzene?
The molecular formula of 1-Chloro-2-nitrobenzene is C6H4ClNO2.
What is the molecular weight of 1-Chloro-2-nitrobenzene?
The molecular weight of 1-Chloro-2-nitrobenzene is 156.99306 g/mol.
What are the applications of 1-Chloro-2-nitrobenzene?
1-Chloro-2-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. Available from CoreyChem as...
Where can I buy 1-Chloro-2-nitrobenzene?
You can request a quote for 1-Chloro-2-nitrobenzene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Chloro-2-nitrobenzene?
Yes, CoreyChem provides custom synthesis services for 1-Chloro-2-nitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.