2,6-Dimethylnitrobenzene
TL;DR: 2,6-Dimethylnitrobenzene (CAS 81-20-9) is a chemical compound with molecular formula C8H9NO2 and molecular weight 151.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-2-nitrobenzene
Also Known As: 2-Nitro-m-xylene, 1,3-Dimethyl-2-nitrobenzene, 2,6-Dimethylnitrobenzene, m-Xylene, 2-nitro-, 2,6-Dimethyl-1-nitrobenzene
| Molecular Formula | C8H9NO2 |
|---|---|
| Molecular Weight | 151.06 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 151.06332 |
| Heavy Atoms | 11 |
| Complexity | 143.0 |
| Melting Point | 57 to 16.1 °C |
| Boiling Point | 225.0 °C at 744 mmHg |
| Density | 1.112 at 15.0 °C |
| Solubility | less than 1 mg/mL at 66 °F (NTP, 1992) |
| Flash Point | 87.8 °C |
| Vapor Pressure | 28.4 mmHg at 37.8 °C |
Chemical Identifiers
| CAS Number | 81-20-9 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)[N+](=O)[O-] |
| InChIKey | HDFQKJQEWGVKCQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,6-Dimethylnitrobenzene (CAS 81-20-9), with molecular formula C8H9NO2 and molecular weight 151.06 g/mol. IUPAC: 1,3-dimethyl-2-nitrobenzene.
Chemical Property Profile of 2,6-Dimethylnitrobenzene
Property Insights of 2,6-Dimethylnitrobenzene
The XLogP value of 3.0 indicates that 2,6-Dimethylnitrobenzene 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-Dimethylnitrobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6-Dimethylnitrobenzene 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 2,6-Dimethylnitrobenzene?
The CAS number of 2,6-Dimethylnitrobenzene is 81-20-9.
What is the molecular formula of 2,6-Dimethylnitrobenzene?
The molecular formula of 2,6-Dimethylnitrobenzene is C8H9NO2.
What is the molecular weight of 2,6-Dimethylnitrobenzene?
The molecular weight of 2,6-Dimethylnitrobenzene is 151.06 g/mol.
Where can I buy 2,6-Dimethylnitrobenzene?
You can request a quote for 2,6-Dimethylnitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-Dimethylnitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Dimethylnitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.