2-Chloro-4-nitrotoluene
TL;DR: 2-Chloro-4-nitrotoluene (CAS 121-86-8) is a chemical compound with molecular formula C7H6ClNO2 and molecular weight 171.00871 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-chloro-1-methyl-4-nitrobenzene
Also Known As: 2-CHLORO-4-NITROTOLUENE, 2-Chloro-1-methyl-4-nitrobenzene, o-Chloro-p-nitrotoluol, 2,4-Chloronitrotoluene, Toluene, 2-chloro-4-nitro-
Application Areas
Top 5 of 15 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H6ClNO2 |
| Molecular Weight | 171.00871 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 171.00871 Da |
| Heavy Atoms | 11 |
| Complexity | 157.0 |
| Melting Point | 68 °C |
| Boiling Point | 260 °C AT 760 MM HG |
| Flash Point | 138 °C |
| Vapor Pressure | 0.01 [mmHg] |
| Refractive Index | INDEX OF REFRACTION: 1.5470 AT 69 °C/D |
| Solubility | SOL IN ALCOHOL, ETHER |
| SMILES | CC1=C(C=C(C=C1)[N+](=O)[O-])Cl |
| InChIKey | LLYXJBROWQDVMI-UHFFFAOYSA-N |
Product Description
Applications: 2-Chloro-4-nitrotoluene is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 2-Chloro-4-nitrotoluene (CAS 121-86-8) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
2-Chloro-4-nitrotoluene (CAS 121-86-8) is a heterocyclic building block with the molecular formula C7H6ClNO2 and a molecular weight of 171.01 g/mol. Key physical properties include a solubility: SOL IN ALCOHOL, ETHER. It is also known as 2-CHLORO-4-NITROTOLUENE and 2-Chloro-1-methyl-4-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 2-Chloro-4-nitrotoluene
Property Insights of 2-Chloro-4-nitrotoluene
The XLogP value of 3.4 indicates that 2-Chloro-4-nitrotoluene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.8 Ų, 2-Chloro-4-nitrotoluene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-4-nitrotoluene 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 2-Chloro-4-nitrotoluene?
The CAS number of 2-Chloro-4-nitrotoluene is 121-86-8.
What is the molecular formula of 2-Chloro-4-nitrotoluene?
The molecular formula of 2-Chloro-4-nitrotoluene is C7H6ClNO2.
What is the molecular weight of 2-Chloro-4-nitrotoluene?
The molecular weight of 2-Chloro-4-nitrotoluene is 171.00871 g/mol.
What are the applications of 2-Chloro-4-nitrotoluene?
2-Chloro-4-nitrotoluene is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies...
Where can I buy 2-Chloro-4-nitrotoluene?
You can request a quote for 2-Chloro-4-nitrotoluene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Chloro-4-nitrotoluene?
Yes, CoreyChem provides custom synthesis services for 2-Chloro-4-nitrotoluene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.