4-Chloro-3-nitrotoluene
TL;DR: 4-Chloro-3-nitrotoluene (CAS 89-60-1) 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-4-methyl-2-nitrobenzene
Also Known As: 4-CHLORO-3-NITROTOLUENE, 1-Chloro-4-methyl-2-nitrobenzene, 3-Nitro-4-chlorotoluene, Benzene, 1-chloro-4-methyl-2-nitro-, iMDK
Application Areas
Top 5 of 14 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H6ClNO2 |
| Molecular Weight | 171.00871 g/mol |
| XLogP | 2.8 |
| 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=CC(=C(C=C1)Cl)[N+](=O)[O-] |
| InChIKey | NWESJZZPAJGHRZ-UHFFFAOYSA-N |
Product Description
Applications: 4-Chloro-3-nitrotoluene is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 4-Chloro-3-nitrotoluene (CAS 89-60-1) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
4-Chloro-3-nitrotoluene (CAS 89-60-1) is a heterocyclic building block with the molecular formula C7H6ClNO2 and a molecular weight of 171.01 g/mol. It is also known as 4-CHLORO-3-NITROTOLUENE and 1-Chloro-4-methyl-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 4-Chloro-3-nitrotoluene
Property Insights of 4-Chloro-3-nitrotoluene
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-3-nitrotoluene. With a topological polar surface area (TPSA) of 45.8 Ų, 4-Chloro-3-nitrotoluene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-3-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 4-Chloro-3-nitrotoluene?
The CAS number of 4-Chloro-3-nitrotoluene is 89-60-1.
What is the molecular formula of 4-Chloro-3-nitrotoluene?
The molecular formula of 4-Chloro-3-nitrotoluene is C7H6ClNO2.
What is the molecular weight of 4-Chloro-3-nitrotoluene?
The molecular weight of 4-Chloro-3-nitrotoluene is 171.00871 g/mol.
What are the applications of 4-Chloro-3-nitrotoluene?
4-Chloro-3-nitrotoluene is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 4-Chloro-3-nitrotoluene (CAS...
Where can I buy 4-Chloro-3-nitrotoluene?
You can request a quote for 4-Chloro-3-nitrotoluene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Chloro-3-nitrotoluene?
Yes, CoreyChem provides custom synthesis services for 4-Chloro-3-nitrotoluene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.