p-Anisoyl chloride
TL;DR: p-Anisoyl chloride (CAS 100-07-2) is a chemical compound with molecular formula C8H7ClO2 and molecular weight 170.01346 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-methoxybenzoyl chloride
Also Known As: 4-Methoxybenzoyl chloride, P-ANISOYL CHLORIDE, Anisoyl chloride, p-Methoxybenzoyl chloride, 4-Anisoyl chloride
Application Areas
Top 5 of 19 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H7ClO2 |
| Molecular Weight | 170.01346 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 170.01346 Da |
| Heavy Atoms | 11 |
| Complexity | 139.0 |
| Melting Point | 72 °F (USCG, 1999) |
| Boiling Point | 504 °F at 760 mmHg (USCG, 1999) |
| Density | 1.26 at 68 °F (USCG, 1999) - Denser than water; will sink |
| Vapor Pressure | 0.01 [mmHg] |
| Refractive Index | Index of refraction = 1.580 at 20 °C |
| Solubility | Soluble in ether and acetone. Very soluble in benzene. Slightly soluble in carbon tetrachloride. |
| SMILES | COC1=CC=C(C=C1)C(=O)Cl |
| InChIKey | MXMOTZIXVICDSD-UHFFFAOYSA-N |
Product Description
Applications: p-Anisoyl chloride 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. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
A heterocyclic building block supplied by CoreyChem, p-Anisoyl chloride (CAS 100-07-2) has the molecular formula C8H7ClO2 and a molecular weight of 170.01 g/mol. Reported properties include a density of 1.26 at 68 °F (USCG, 1999) - Denser than water; will sink g/cm³, a solubility: Soluble in ether and acetone. Very soluble in benzene. Slightly soluble in carbon tetrachloride. Synonyms include 4-Methoxybenzoyl chloride and P-ANISOYL CHLORIDE.
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 p-Anisoyl chloride
Property Insights of p-Anisoyl chloride
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for p-Anisoyl chloride. With a topological polar surface area (TPSA) of 26.3 Ų, p-Anisoyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, p-Anisoyl chloride 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 p-Anisoyl chloride?
The CAS number of p-Anisoyl chloride is 100-07-2.
What is the molecular formula of p-Anisoyl chloride?
The molecular formula of p-Anisoyl chloride is C8H7ClO2.
What is the molecular weight of p-Anisoyl chloride?
The molecular weight of p-Anisoyl chloride is 170.01346 g/mol.
What are the applications of p-Anisoyl chloride?
p-Anisoyl chloride 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. Available from CoreyChem as both catalog item and...
Where can I buy p-Anisoyl chloride?
You can request a quote for p-Anisoyl chloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for p-Anisoyl chloride?
Yes, CoreyChem provides custom synthesis services for p-Anisoyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.