Nitro-p-xylene
TL;DR: Nitro-p-xylene (CAS 89-58-7) 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.
1,4-dimethyl-2-nitrobenzene
Also Known As: 1,4-DIMETHYL-2-NITROBENZENE, 2,5-Dimethylnitrobenzene, Nitro-p-xylene, 2-Nitro-p-xylene, 2-Nitro-4-xylene
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 | 2.5 |
| 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 |
| Boiling Point | 464 to 466 °F at 760 mmHg (NTP, 1992) |
| Density | 1.132 at 59 °F (NTP, 1992) - Denser than water; will sink |
| Flash Point | greater than 200 °F (NTP, 1992) |
| Solubility | less than 1 mg/mL at 66 °F (NTP, 1992) |
| SMILES | CC1=CC(=C(C=C1)C)[N+](=O)[O-] |
| InChIKey | BSFHJMGROOFSRA-UHFFFAOYSA-N |
Product Description
Applications: Nitro-p-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. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Nitro-p-xylene is a organic building block identified by CAS number 89-58-7 and the molecular formula C8H9NO2 and a molecular weight of 151.06 g/mol. Physically, the compound has a density of 1.132 at 59 °F (NTP, 1992) - Denser than water; will sink g/cm³, a solubility: less than 1 mg/mL at 66 °F (NTP, 1992). Synonyms include 1,4-DIMETHYL-2-NITROBENZENE and 2,5-Dimethylnitrobenzene.
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 Nitro-p-xylene
Property Insights of Nitro-p-xylene
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Nitro-p-xylene. With a topological polar surface area (TPSA) of 45.8 Ų, Nitro-p-xylene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Nitro-p-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 Nitro-p-xylene?
The CAS number of Nitro-p-xylene is 89-58-7.
What is the molecular formula of Nitro-p-xylene?
The molecular formula of Nitro-p-xylene is C8H9NO2.
What is the molecular weight of Nitro-p-xylene?
The molecular weight of Nitro-p-xylene is 151.06332 g/mol.
What are the applications of Nitro-p-xylene?
Nitro-p-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. Available from CoreyChem as both catalog item and...
Where can I buy Nitro-p-xylene?
You can request a quote for Nitro-p-xylene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Nitro-p-xylene?
Yes, CoreyChem provides custom synthesis services for Nitro-p-xylene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.