1,2-Dimethyl-3-nitrobenzene
TL;DR: 1,2-Dimethyl-3-nitrobenzene (CAS 83-41-0) 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.
1,2-dimethyl-3-nitrobenzene
Also Known As: 3-Nitro-o-xylene, 1,2-DIMETHYL-3-NITROBENZENE, Nitroxylene, 2,3-Dimethylnitrobenzene, o-Xylene, 3-nitro-
| Molecular Formula | C8H9NO2 |
|---|---|
| Molecular Weight | 151.06 g/mol |
| LogP | 2.8 |
| 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 | 153.0 |
| Melting Point | 45 to 8.9 °C |
| Boiling Point | 245.0 °C at 760 mmHg |
| Density | 1.1402 at 20.0 °C |
| Solubility | less than 1 mg/mL at 70 °F (NTP, 1992) |
| Flash Point | 107.2 °C |
| Vapor Pressure | 0.0172 mm Hg at 25 °C /extrapolated/ |
| Refractive Index | 1.5441 at 20 °C |
Chemical Identifiers
| CAS Number | 83-41-0 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)[N+](=O)[O-])C |
| InChIKey | FVHAWXWFPBPFOS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2-Dimethyl-3-nitrobenzene (CAS 83-41-0), with molecular formula C8H9NO2 and molecular weight 151.06 g/mol. IUPAC: 1,2-dimethyl-3-nitrobenzene.
Chemical Property Profile of 1,2-Dimethyl-3-nitrobenzene
Property Insights of 1,2-Dimethyl-3-nitrobenzene
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Dimethyl-3-nitrobenzene. With a topological polar surface area (TPSA) of 45.8 Ų, 1,2-Dimethyl-3-nitrobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Dimethyl-3-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 1,2-Dimethyl-3-nitrobenzene?
The CAS number of 1,2-Dimethyl-3-nitrobenzene is 83-41-0.
What is the molecular formula of 1,2-Dimethyl-3-nitrobenzene?
The molecular formula of 1,2-Dimethyl-3-nitrobenzene is C8H9NO2.
What is the molecular weight of 1,2-Dimethyl-3-nitrobenzene?
The molecular weight of 1,2-Dimethyl-3-nitrobenzene is 151.06 g/mol.
Where can I buy 1,2-Dimethyl-3-nitrobenzene?
You can request a quote for 1,2-Dimethyl-3-nitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Dimethyl-3-nitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Dimethyl-3-nitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.