Anisole
TL;DR: Anisole (CAS 100-66-3) is a chemical compound with molecular formula C7H8O and molecular weight 108.05752 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
anisole
Also Known As: ANISOLE, Methoxybenzene, Benzene, methoxy-, Methyl phenyl ether, Phenoxymethane
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H8O |
| Molecular Weight | 108.05752 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 108.05752 Da |
| Heavy Atoms | 8 |
| Complexity | 55.0 |
| Melting Point | -37.3 °C |
| Boiling Point | 155.5 °C AT 760 MM HG |
| Density | 0.9956 AT 18 °C/4 °C |
| Flash Point | 125 °F (NFPA, 2010) |
| Vapor Pressure | 3.54 [mmHg] |
| Refractive Index | INDEX OF REFRACTION: 1.51791 AT 20 °C/D |
| Solubility | SOLUBLE IN ALCOHOL AND ETHER |
| SMILES | COC1=CC=CC=C1 |
| InChIKey | RDOXTESZEPMUJZ-UHFFFAOYSA-N |
Product Description
Applications: Anisole is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Anisole (CAS 100-66-3) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A heterocyclic building block supplied by CoreyChem, Anisole (CAS 100-66-3) has the molecular formula C7H8O and a molecular weight of 108.06 g/mol. Reported properties include a density of 0.9956 AT 18 °C/4 °C g/cm³, a solubility: SOLUBLE IN ALCOHOL AND ETHER. It is also known as ANISOLE and Methoxybenzene.
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 Anisole
Property Insights of Anisole
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Anisole. With a topological polar surface area (TPSA) of 9.2 Ų, Anisole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Anisole has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Anisole?
The CAS number of Anisole is 100-66-3.
What is the molecular formula of Anisole?
The molecular formula of Anisole is C7H8O.
What is the molecular weight of Anisole?
The molecular weight of Anisole is 108.05752 g/mol.
What are the applications of Anisole?
Anisole is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Anisole (CAS 100-66-3) with custom synthesis...
Where can I buy Anisole?
You can request a quote for Anisole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Anisole?
Yes, CoreyChem provides custom synthesis services for Anisole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.