p-Anisoyl chloride
TL;DR: p-Anisoyl chloride (CAS 100-07-2) is a chemical compound with molecular formula C8H7ClO2 and molecular weight 170.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methoxybenzoyl chloride
Also Known As: 4-Methoxybenzoyl chloride, P-ANISOYL CHLORIDE, Anisoyl chloride, p-Methoxybenzoyl chloride, 4-Anisoyl chloride
| Molecular Formula | C8H7ClO2 |
|---|---|
| Molecular Weight | 170.01 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 170.01346 |
| Heavy Atoms | 11 |
| Complexity | 139.0 |
| Melting Point | 22.2 °C |
| Boiling Point | 262.2 °C at 760 mmHg |
| Density | 1.26 at 20.0 °C |
| Solubility | Soluble in ether and acetone. Very soluble in benzene. Slightly soluble in carbon tetrachloride. |
| Vapor Pressure | 0.01 [mmHg] |
| Refractive Index | = 1.580 at 20 °C |
Chemical Identifiers
| CAS Number | 100-07-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)Cl |
| InChIKey | MXMOTZIXVICDSD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
p-Anisoyl chloride (CAS 100-07-2), with molecular formula C8H7ClO2 and molecular weight 170.01 g/mol. IUPAC: 4-methoxybenzoyl chloride.
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
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 170.01 g/mol.
Where can I buy p-Anisoyl chloride?
You can request a quote for p-Anisoyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-Anisoyl chloride?
Yes, KEHONG BIO provides custom synthesis services for p-Anisoyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.