4-Nitro-o-xylene
TL;DR: 4-Nitro-o-xylene (CAS 99-51-4) 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-4-nitrobenzene
Also Known As: 4-Nitro-o-xylene, 1,2-DIMETHYL-4-NITROBENZENE, p-Nitro-o-xylene, o-Xylene, 4-nitro-, 1,2-dimethyl-4-nitrobenzol
Application Areas
Top 5 of 13 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H9NO2 |
| Molecular Weight | 151.06332 g/mol |
| XLogP | 2.9 |
| 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 | 86 to 88 °F (NTP, 1992) |
| Boiling Point | 489 °F at 748 mmHg (NTP, 1992) |
| Density | 1.117 (NTP, 1992) - Denser than water; will sink |
| Flash Point | 225 °F (NTP, 1992) |
| Solubility | 1 to 5 mg/mL at 59 °F (NTP, 1992) |
| SMILES | CC1=C(C=C(C=C1)[N+](=O)[O-])C |
| InChIKey | HFZKOYWDLDYELC-UHFFFAOYSA-N |
Product Description
Applications: 4-Nitro-o-xylene is used in complex organic molecule assembly across discovery and process chemistry, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. 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).
4-Nitro-o-xylene (CAS 99-51-4) is a organic building block with the molecular formula C8H9NO2 and a molecular weight of 151.06 g/mol. Key physical properties include a density of 1.117 (NTP, 1992) - Denser than water; will sink g/cm³, a solubility: 1 to 5 mg/mL at 59 °F (NTP, 1992). Synonyms include 4-Nitro-o-xylene and 1,2-DIMETHYL-4-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-o-xylene
Property Insights of 4-Nitro-o-xylene
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Nitro-o-xylene. With a topological polar surface area (TPSA) of 45.8 Ų, 4-Nitro-o-xylene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Nitro-o-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-o-xylene?
The CAS number of 4-Nitro-o-xylene is 99-51-4.
What is the molecular formula of 4-Nitro-o-xylene?
The molecular formula of 4-Nitro-o-xylene is C8H9NO2.
What is the molecular weight of 4-Nitro-o-xylene?
The molecular weight of 4-Nitro-o-xylene is 151.06332 g/mol.
What are the applications of 4-Nitro-o-xylene?
4-Nitro-o-xylene is used in complex organic molecule assembly across discovery and process chemistry, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both...
Where can I buy 4-Nitro-o-xylene?
You can request a quote for 4-Nitro-o-xylene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Nitro-o-xylene?
Yes, CoreyChem provides custom synthesis services for 4-Nitro-o-xylene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.