4-Chloro-2-fluoro-5-nitrotoluene
TL;DR: 4-Chloro-2-fluoro-5-nitrotoluene (CAS 18349-11-6) is a chemical compound with molecular formula C7H5ClFNO2 and molecular weight 188.99928 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-chloro-5-fluoro-4-methyl-2-nitrobenzene
Also Known As: 4-Chloro-2-fluoro-5-nitrotoluene, 1-Chloro-5-fluoro-4-methyl-2-nitrobenzene, 1-Chloro-5-fluoro-4-methyl-2-nitro-benzene, Benzene, 1-chloro-5-fluoro-4-methyl-2-nitro-, Toluene, 4-chloro-2-fluoro-5-nitro-
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H5ClFNO2 |
| Molecular Weight | 188.99928 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 188.99928 Da |
| Heavy Atoms | 12 |
| Complexity | 185.0 |
| SMILES | CC1=CC(=C(C=C1F)Cl)[N+](=O)[O-] |
| InChIKey | SJDPAVRCQNFVDM-UHFFFAOYSA-N |
Chemical Property Profile of 4-Chloro-2-fluoro-5-nitrotoluene
Property Insights of 4-Chloro-2-fluoro-5-nitrotoluene
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-2-fluoro-5-nitrotoluene. With a topological polar surface area (TPSA) of 45.8 Ų, 4-Chloro-2-fluoro-5-nitrotoluene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-2-fluoro-5-nitrotoluene has 0 hydrogen bond donor(s) and 3 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-2-fluoro-5-nitrotoluene?
The CAS number of 4-Chloro-2-fluoro-5-nitrotoluene is 18349-11-6.
What is the molecular formula of 4-Chloro-2-fluoro-5-nitrotoluene?
The molecular formula of 4-Chloro-2-fluoro-5-nitrotoluene is C7H5ClFNO2.
What is the molecular weight of 4-Chloro-2-fluoro-5-nitrotoluene?
The molecular weight of 4-Chloro-2-fluoro-5-nitrotoluene is 188.99928 g/mol.
Where can I buy 4-Chloro-2-fluoro-5-nitrotoluene?
You can request a quote for 4-Chloro-2-fluoro-5-nitrotoluene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Chloro-2-fluoro-5-nitrotoluene?
Yes, CoreyChem provides custom synthesis services for 4-Chloro-2-fluoro-5-nitrotoluene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.