4,5-Dichloro-n-methyl-2-nitroaniline
TL;DR: 4,5-Dichloro-n-methyl-2-nitroaniline (CAS 107491-62-3) is a chemical compound with molecular formula C7H6Cl2N2O2 and molecular weight 219.98064 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4,5-dichloro-N-methyl-2-nitroaniline
Also Known As: 4,5-dichloro-n-methyl-2-nitroaniline, Benzenamine, 4,5-dichloro-N-methyl-2-nitro-, 4,5-dichloro-2-nitro-N-methylaniline, 4,5-dichloro-N-methyl-2-nitrobenzenamine, N-Methyl-2-nitro-4,5-dichloroaniline
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H6Cl2N2O2 |
| Molecular Weight | 219.98064 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 57.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 219.98064 Da |
| Heavy Atoms | 13 |
| Complexity | 197.0 |
| SMILES | CNC1=CC(=C(C=C1[N+](=O)[O-])Cl)Cl |
| InChIKey | KVAANWDMOIROOR-UHFFFAOYSA-N |
Chemical Property Profile of 4,5-Dichloro-n-methyl-2-nitroaniline
Property Insights of 4,5-Dichloro-n-methyl-2-nitroaniline
The XLogP value of 3.4 indicates that 4,5-Dichloro-n-methyl-2-nitroaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.9 Ų, 4,5-Dichloro-n-methyl-2-nitroaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,5-Dichloro-n-methyl-2-nitroaniline has 1 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 4,5-Dichloro-n-methyl-2-nitroaniline?
The CAS number of 4,5-Dichloro-n-methyl-2-nitroaniline is 107491-62-3.
What is the molecular formula of 4,5-Dichloro-n-methyl-2-nitroaniline?
The molecular formula of 4,5-Dichloro-n-methyl-2-nitroaniline is C7H6Cl2N2O2.
What is the molecular weight of 4,5-Dichloro-n-methyl-2-nitroaniline?
The molecular weight of 4,5-Dichloro-n-methyl-2-nitroaniline is 219.98064 g/mol.
Where can I buy 4,5-Dichloro-n-methyl-2-nitroaniline?
You can request a quote for 4,5-Dichloro-n-methyl-2-nitroaniline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4,5-Dichloro-n-methyl-2-nitroaniline?
Yes, CoreyChem provides custom synthesis services for 4,5-Dichloro-n-methyl-2-nitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.