Nitro-p-xylene
TL;DR: Nitro-p-xylene (CAS 89-58-7) 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.
1,4-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
| Molecular Formula | C8H9NO2 |
|---|---|
| Molecular Weight | 151.06 g/mol |
| LogP | 2.5 |
| 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 |
| Boiling Point | 464 to 241.1 °C at 760 mmHg |
| Density | 1.132 at 15.0 °C |
| Solubility | less than 1 mg/mL at 66 °F (NTP, 1992) |
| Flash Point | greater than 93.3 °C |
Chemical Identifiers
| CAS Number | 89-58-7 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)[N+](=O)[O-] |
| InChIKey | BSFHJMGROOFSRA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Nitro-p-xylene (CAS 89-58-7), with molecular formula C8H9NO2 and molecular weight 151.06 g/mol. IUPAC: 1,4-dimethyl-2-nitrobenzene.
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
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 151.06 g/mol.
Where can I buy Nitro-p-xylene?
You can request a quote for Nitro-p-xylene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nitro-p-xylene?
Yes, KEHONG BIO provides custom synthesis services for Nitro-p-xylene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.