4-Nitro-m-xylene
TL;DR: 4-Nitro-m-xylene (CAS 89-87-2) 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.
2,4-dimethyl-1-nitrobenzene
Also Known As: 4-NITRO-M-XYLENE, 2,4-Dimethyl-1-nitrobenzene, 1,3-Dimethyl-4-nitrobenzene, 2,4-Dimethylnitrobenzene, Benzene, 2,4-dimethyl-1-nitro-
Application Areas
Top 5 of 12 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H9NO2 |
| Molecular Weight | 151.06332 g/mol |
| XLogP | 2.7 |
| 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 | 36 °F (NTP, 1992) |
| Boiling Point | 459 to 462 °F at 760 mmHg (NTP, 1992) |
| Density | 1.135 at 59 °F (NTP, 1992) - Denser than water; will sink |
| Flash Point | 225 °F (NTP, 1992) |
| Vapor Pressure | 1 mmHg at 150.1 °F ; 760 mmHg at 471.2 °F (NTP, 1992) |
| Solubility | less than 1 mg/mL at 70 °F (NTP, 1992) |
| SMILES | CC1=CC(=C(C=C1)[N+](=O)[O-])C |
| InChIKey | BBUPBICWUURTNP-UHFFFAOYSA-N |
Product Description
Applications: 4-Nitro-m-xylene is used in complex organic molecule assembly across discovery and process chemistry, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 4-Nitro-m-xylene (CAS 89-87-2) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A organic building block supplied by CoreyChem, 4-Nitro-m-xylene (CAS 89-87-2) has the molecular formula C8H9NO2 and a molecular weight of 151.06 g/mol. Reported properties include a density of 1.135 at 59 °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 4-NITRO-M-XYLENE and 2,4-Dimethyl-1-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 4-Nitro-m-xylene
Property Insights of 4-Nitro-m-xylene
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Nitro-m-xylene. With a topological polar surface area (TPSA) of 45.8 Ų, 4-Nitro-m-xylene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Nitro-m-xylene 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 4-Nitro-m-xylene?
The CAS number of 4-Nitro-m-xylene is 89-87-2.
What is the molecular formula of 4-Nitro-m-xylene?
The molecular formula of 4-Nitro-m-xylene is C8H9NO2.
What is the molecular weight of 4-Nitro-m-xylene?
The molecular weight of 4-Nitro-m-xylene is 151.06332 g/mol.
What are the applications of 4-Nitro-m-xylene?
4-Nitro-m-xylene is used in complex organic molecule assembly across discovery and process chemistry, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 4-Nitro-m-xylene (CAS 89-87-2) with...
Where can I buy 4-Nitro-m-xylene?
You can request a quote for 4-Nitro-m-xylene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Nitro-m-xylene?
Yes, CoreyChem provides custom synthesis services for 4-Nitro-m-xylene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.