Alpha-chloro-3-methyl-4-nitrotoluene
TL;DR: Alpha-chloro-3-methyl-4-nitrotoluene (CAS 18515-14-5) is a chemical compound with molecular formula C8H8ClNO2 and molecular weight 185.02435 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(chloromethyl)-2-methyl-1-nitrobenzene
Also Known As: 4-(chloromethyl)-2-methyl-1-nitrobenzene, alpha-Chloro-3-methyl-4-nitrotoluene, 3-Methyl-4-nitrobenzyl chloride, 3-Methyl-4-nitro-benzylchlorid, 1-Chloromethyl-3-methyl-4-nitrobenzene
Application Areas
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H8ClNO2 |
| Molecular Weight | 185.02435 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 185.02435 Da |
| Heavy Atoms | 12 |
| Complexity | 169.0 |
| SMILES | CC1=C(C=CC(=C1)CCl)[N+](=O)[O-] |
| InChIKey | DLYHOEXVOPOBAJ-UHFFFAOYSA-N |
Chemical Property Profile of Alpha-chloro-3-methyl-4-nitrotoluene
Property Insights of Alpha-chloro-3-methyl-4-nitrotoluene
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Alpha-chloro-3-methyl-4-nitrotoluene. With a topological polar surface area (TPSA) of 45.8 Ų, Alpha-chloro-3-methyl-4-nitrotoluene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Alpha-chloro-3-methyl-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 Alpha-chloro-3-methyl-4-nitrotoluene?
The CAS number of Alpha-chloro-3-methyl-4-nitrotoluene is 18515-14-5.
What is the molecular formula of Alpha-chloro-3-methyl-4-nitrotoluene?
The molecular formula of Alpha-chloro-3-methyl-4-nitrotoluene is C8H8ClNO2.
What is the molecular weight of Alpha-chloro-3-methyl-4-nitrotoluene?
The molecular weight of Alpha-chloro-3-methyl-4-nitrotoluene is 185.02435 g/mol.
Where can I buy Alpha-chloro-3-methyl-4-nitrotoluene?
You can request a quote for Alpha-chloro-3-methyl-4-nitrotoluene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Alpha-chloro-3-methyl-4-nitrotoluene?
Yes, CoreyChem provides custom synthesis services for Alpha-chloro-3-methyl-4-nitrotoluene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.