4-Nitroanisole
TL;DR: 4-Nitroanisole (CAS 100-17-4) is a chemical compound with molecular formula C7H7NO3 and molecular weight 153.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methoxy-4-nitrobenzene
Also Known As: 4-Nitroanisole, 1-Methoxy-4-nitrobenzene, P-NITROANISOLE, 4-Methoxynitrobenzene, Nitroanisole
| Molecular Formula | C7H7NO3 |
|---|---|
| Molecular Weight | 153.04 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 153.04259 |
| Heavy Atoms | 11 |
| Complexity | 135.0 |
| Melting Point | 9.4 °C |
| Boiling Point | 277.2 °C at 760 mmHg |
| Density | 1.254 at 20.0 °C |
| Solubility | less than 1 mg/mL at 75 °F (NTP, 1992) |
| Flash Point | greater than 110.0 °C |
| Vapor Pressure | 1 mmHg at 52.8 °C ; 18.5 mmHg at 75.0 °C; 30.0 mmHg at 90.0 °C |
Chemical Identifiers
| CAS Number | 100-17-4 |
|---|---|
| SMILES | COC1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | BNUHAJGCKIQFGE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Nitroanisole (CAS 100-17-4), with molecular formula C7H7NO3 and molecular weight 153.04 g/mol. IUPAC: 1-methoxy-4-nitrobenzene.
Chemical Property Profile of 4-Nitroanisole
Property Insights of 4-Nitroanisole
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Nitroanisole. With a topological polar surface area (TPSA) of 55.1 Ų, 4-Nitroanisole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Nitroanisole has 0 hydrogen bond donor(s) and 3 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 4-Nitroanisole?
The CAS number of 4-Nitroanisole is 100-17-4.
What is the molecular formula of 4-Nitroanisole?
The molecular formula of 4-Nitroanisole is C7H7NO3.
What is the molecular weight of 4-Nitroanisole?
The molecular weight of 4-Nitroanisole is 153.04 g/mol.
Where can I buy 4-Nitroanisole?
You can request a quote for 4-Nitroanisole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Nitroanisole?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitroanisole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.