2,6-Dibromo-4-nitrotoluene
TL;DR: 2,6-Dibromo-4-nitrotoluene (CAS 110127-07-6) is a chemical compound with molecular formula C7H5Br2NO2 and molecular weight 292.8687 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,3-dibromo-2-methyl-5-nitrobenzene
Also Known As: 1,3-dibromo-2-methyl-5-nitrobenzene, 2,6-DIBROMO-4-NITROTOLUENE, Benzene, 1,3-dibromo-2-methyl-5-nitro-, 1,3-Dibromo-2-methyl-4-nitrobenzene, 1,3-Dibromo-2-methyl-5-nitro-benzene
Technical Specifications
| Molecular Formula | C7H5Br2NO2 |
| Molecular Weight | 292.8687 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 292.8687 Da |
| Heavy Atoms | 12 |
| Complexity | 171.0 |
| SMILES | CC1=C(C=C(C=C1Br)[N+](=O)[O-])Br |
| InChIKey | HGDQAFSQPJJIFA-UHFFFAOYSA-N |
Chemical Property Profile of 2,6-Dibromo-4-nitrotoluene
Property Insights of 2,6-Dibromo-4-nitrotoluene
The XLogP value of 3.5 indicates that 2,6-Dibromo-4-nitrotoluene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.8 Ų, 2,6-Dibromo-4-nitrotoluene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6-Dibromo-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 2,6-Dibromo-4-nitrotoluene?
The CAS number of 2,6-Dibromo-4-nitrotoluene is 110127-07-6.
What is the molecular formula of 2,6-Dibromo-4-nitrotoluene?
The molecular formula of 2,6-Dibromo-4-nitrotoluene is C7H5Br2NO2.
What is the molecular weight of 2,6-Dibromo-4-nitrotoluene?
The molecular weight of 2,6-Dibromo-4-nitrotoluene is 292.8687 g/mol.
Where can I buy 2,6-Dibromo-4-nitrotoluene?
You can request a quote for 2,6-Dibromo-4-nitrotoluene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,6-Dibromo-4-nitrotoluene?
Yes, CoreyChem provides custom synthesis services for 2,6-Dibromo-4-nitrotoluene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.