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 151.06332 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
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-
Application Areas
Top 5 of 18 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H9NO2 |
| Molecular Weight | 151.06332 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 | 151.06332 Da |
| Heavy Atoms | 11 |
| Complexity | 153.0 |
| Melting Point | 45 to 48 °F (NTP, 1992) |
| Boiling Point | 473 °F at 760 mmHg (NTP, 1992) |
| Density | 1.1402 at 68 °F (NTP, 1992) - Denser than water; will sink |
| Flash Point | 225 °F (NTP, 1992) |
| Vapor Pressure | 0.0172 mm Hg at 25 °C /extrapolated/ |
| Refractive Index | Index of refraction: 1.5441 at 20 °C |
| Solubility | less than 1 mg/mL at 70 °F (NTP, 1992) |
| SMILES | CC1=C(C(=CC=C1)[N+](=O)[O-])C |
| InChIKey | FVHAWXWFPBPFOS-UHFFFAOYSA-N |
Product Description
Applications: 1,2-Dimethyl-3-nitrobenzene is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 1,2-Dimethyl-3-nitrobenzene (CAS 83-41-0) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
1,2-Dimethyl-3-nitrobenzene is a heterocyclic building block identified by CAS number 83-41-0 and the molecular formula C8H9NO2 and a molecular weight of 151.06 g/mol. Physically, the compound has a density of 1.1402 at 68 °F (NTP, 1992) - Denser than water; will sink g/cm³, a solubility: less than 1 mg/mL at 70 °F (NTP, 1992). It is also known as 3-Nitro-o-xylene and 1,2-DIMETHYL-3-NITROBENZENE.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
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
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 151.06332 g/mol.
What are the applications of 1,2-Dimethyl-3-nitrobenzene?
1,2-Dimethyl-3-nitrobenzene is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 1,2-Dimethyl-3-nitrobenzene...
Where can I buy 1,2-Dimethyl-3-nitrobenzene?
You can request a quote for 1,2-Dimethyl-3-nitrobenzene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,2-Dimethyl-3-nitrobenzene?
Yes, CoreyChem provides custom synthesis services for 1,2-Dimethyl-3-nitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.