1-Bromo-3-methyl-5-nitrobenzene
TL;DR: 1-Bromo-3-methyl-5-nitrobenzene (CAS 52488-28-5) is a chemical compound with molecular formula C7H6BrNO2 and molecular weight 214.95819 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-bromo-3-methyl-5-nitrobenzene
Also Known As: 3-Bromo-5-nitrotoluene, 1-bromo-3-methyl-5-nitrobenzene, (-)-ephedrin, 5-Bromo-3-Nitro-Toluene, 1-bromo-3-methyl-5-nitro-benzene
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H6BrNO2 |
| Molecular Weight | 214.95819 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 | 214.95819 Da |
| Heavy Atoms | 11 |
| Complexity | 157.0 |
| SMILES | CC1=CC(=CC(=C1)Br)[N+](=O)[O-] |
| InChIKey | MWFDNXJPZUOTJB-UHFFFAOYSA-N |
Chemical Property Profile of 1-Bromo-3-methyl-5-nitrobenzene
Property Insights of 1-Bromo-3-methyl-5-nitrobenzene
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Bromo-3-methyl-5-nitrobenzene. With a topological polar surface area (TPSA) of 45.8 Ų, 1-Bromo-3-methyl-5-nitrobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Bromo-3-methyl-5-nitrobenzene 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 1-Bromo-3-methyl-5-nitrobenzene?
The CAS number of 1-Bromo-3-methyl-5-nitrobenzene is 52488-28-5.
What is the molecular formula of 1-Bromo-3-methyl-5-nitrobenzene?
The molecular formula of 1-Bromo-3-methyl-5-nitrobenzene is C7H6BrNO2.
What is the molecular weight of 1-Bromo-3-methyl-5-nitrobenzene?
The molecular weight of 1-Bromo-3-methyl-5-nitrobenzene is 214.95819 g/mol.
Where can I buy 1-Bromo-3-methyl-5-nitrobenzene?
You can request a quote for 1-Bromo-3-methyl-5-nitrobenzene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Bromo-3-methyl-5-nitrobenzene?
Yes, CoreyChem provides custom synthesis services for 1-Bromo-3-methyl-5-nitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.