2-Chloro-6-nitrotoluene
TL;DR: 2-Chloro-6-nitrotoluene (CAS 83-42-1) 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.
1-chloro-2-methyl-3-nitrobenzene
Also Known As: 2-CHLORO-6-NITROTOLUENE, 1-Chloro-2-methyl-3-nitrobenzene, 6-Chloro-2-nitrotoluene, Caswell No. 202, 3-Chloro-2-methylnitrobenzene
Application Areas
Top 5 of 12 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H6ClNO2 |
| Molecular Weight | 171.00871 g/mol |
| XLogP | 3.1 |
| 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 |
| SMILES | CC1=C(C=CC=C1Cl)[N+](=O)[O-] |
| InChIKey | XCSNRORTQRKCHB-UHFFFAOYSA-N |
Product Description
Applications: 2-Chloro-6-nitrotoluene 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, 2-Chloro-6-nitrotoluene (CAS 83-42-1) has the molecular formula C7H6ClNO2 and a molecular weight of 171.01 g/mol. Synonyms include 2-CHLORO-6-NITROTOLUENE and 1-Chloro-2-methyl-3-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-6-nitrotoluene
Property Insights of 2-Chloro-6-nitrotoluene
The XLogP value of 3.1 indicates that 2-Chloro-6-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-6-nitrotoluene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-6-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-6-nitrotoluene?
The CAS number of 2-Chloro-6-nitrotoluene is 83-42-1.
What is the molecular formula of 2-Chloro-6-nitrotoluene?
The molecular formula of 2-Chloro-6-nitrotoluene is C7H6ClNO2.
What is the molecular weight of 2-Chloro-6-nitrotoluene?
The molecular weight of 2-Chloro-6-nitrotoluene is 171.00871 g/mol.
What are the applications of 2-Chloro-6-nitrotoluene?
2-Chloro-6-nitrotoluene 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 2-Chloro-6-nitrotoluene?
You can request a quote for 2-Chloro-6-nitrotoluene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Chloro-6-nitrotoluene?
Yes, CoreyChem provides custom synthesis services for 2-Chloro-6-nitrotoluene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.