2-Bromo-3,4-dimethyl-1-nitrobenzene
TL;DR: 2-Bromo-3,4-dimethyl-1-nitrobenzene (CAS 101421-62-9) is a chemical compound with molecular formula C8H8BrNO2 and molecular weight 228.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-1,2-dimethyl-4-nitrobenzene
Also Known As: 2-bromo-3,4-dimethyl-1-nitrobenzene, 3-bromo-1,2-dimethyl-4-nitrobenzene, 2-bromo-3,4-dimethylnitrobenzene, 2-Bromo-3,4-dimethyl-1-nitro-benzene, 1-Bromo-2,3-dimethyl-6-nitrobenzene
| Molecular Formula | C8H8BrNO2 |
|---|---|
| Molecular Weight | 228.97 g/mol |
| LogP | 2.97414 |
| Topological Polar Surface Area | 43.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 228.97385 |
| Heavy Atoms | 12 |
| Complexity | 336.0749 |
Chemical Identifiers
| CAS Number | 101421-62-9 |
|---|---|
| SMILES | CC1=C(C(=C(C=C1)[N+](=O)[O-])Br)C |
Product Overview
2-Bromo-3,4-dimethyl-1-nitrobenzene (CAS 101421-62-9), with molecular formula C8H8BrNO2 and molecular weight 228.97 g/mol. IUPAC: 3-bromo-1,2-dimethyl-4-nitrobenzene.
Chemical Property Profile of 2-Bromo-3,4-dimethyl-1-nitrobenzene
Property Insights of 2-Bromo-3,4-dimethyl-1-nitrobenzene
The XLogP value of 2.97414 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Bromo-3,4-dimethyl-1-nitrobenzene. With a topological polar surface area (TPSA) of 43.14 Ų, 2-Bromo-3,4-dimethyl-1-nitrobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromo-3,4-dimethyl-1-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
Frequently Asked Questions
What is the CAS number of 2-Bromo-3,4-dimethyl-1-nitrobenzene?
The CAS number of 2-Bromo-3,4-dimethyl-1-nitrobenzene is 101421-62-9.
What is the molecular formula of 2-Bromo-3,4-dimethyl-1-nitrobenzene?
The molecular formula of 2-Bromo-3,4-dimethyl-1-nitrobenzene is C8H8BrNO2.
What is the molecular weight of 2-Bromo-3,4-dimethyl-1-nitrobenzene?
The molecular weight of 2-Bromo-3,4-dimethyl-1-nitrobenzene is 228.97 g/mol.
Where can I buy 2-Bromo-3,4-dimethyl-1-nitrobenzene?
You can request a quote for 2-Bromo-3,4-dimethyl-1-nitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromo-3,4-dimethyl-1-nitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-3,4-dimethyl-1-nitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.