2-Methyl-1-nitronaphthalene
TL;DR: 2-Methyl-1-nitronaphthalene (CAS 881-03-8) is a chemical compound with molecular formula C11H9NO2 and molecular weight 187.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-1-nitronaphthalene
Also Known As: 2-METHYL-1-NITRONAPHTHALENE, 1-Nitro-2-methylnaphthalene, null, Naphthalene, 2-methyl-1-nitro-, methylnitronaphthalene
| Molecular Formula | C11H9NO2 |
|---|---|
| Molecular Weight | 187.06 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 187.06332 |
| Heavy Atoms | 14 |
| Complexity | 224.0 |
| Melting Point | 174 to 82.2 °C |
| Boiling Point | 187.8 °C at 20 mmHg |
| Solubility | less than 0.1 mg/mL at 64 °F (NTP, 1992) |
Chemical Identifiers
| CAS Number | 881-03-8 |
|---|---|
| SMILES | CC1=C(C2=CC=CC=C2C=C1)[N+](=O)[O-] |
| InChIKey | IZNWACYOILBFEG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Methyl-1-nitronaphthalene (CAS 881-03-8), with molecular formula C11H9NO2 and molecular weight 187.06 g/mol. IUPAC: 2-methyl-1-nitronaphthalene.
Chemical Property Profile of 2-Methyl-1-nitronaphthalene
Property Insights of 2-Methyl-1-nitronaphthalene
The XLogP value of 3.4 indicates that 2-Methyl-1-nitronaphthalene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.8 Ų, 2-Methyl-1-nitronaphthalene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyl-1-nitronaphthalene 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 2-Methyl-1-nitronaphthalene?
The CAS number of 2-Methyl-1-nitronaphthalene is 881-03-8.
What is the molecular formula of 2-Methyl-1-nitronaphthalene?
The molecular formula of 2-Methyl-1-nitronaphthalene is C11H9NO2.
What is the molecular weight of 2-Methyl-1-nitronaphthalene?
The molecular weight of 2-Methyl-1-nitronaphthalene is 187.06 g/mol.
Where can I buy 2-Methyl-1-nitronaphthalene?
You can request a quote for 2-Methyl-1-nitronaphthalene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-1-nitronaphthalene?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-1-nitronaphthalene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.