4-Chlorobenzoyl chloride
TL;DR: 4-Chlorobenzoyl chloride (CAS 122-01-0) is a chemical compound with molecular formula C7H4Cl2O and molecular weight 173.96391 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-chlorobenzoyl chloride
Also Known As: 4-CHLOROBENZOYL CHLORIDE, p-Chlorobenzoyl chloride, Benzoyl chloride, 4-chloro-, para-Chlorobenzoyl chloride, 2-Chloroacetamide
Application Areas
Top 5 of 21 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H4Cl2O |
| Molecular Weight | 173.96391 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 173.96391 Da |
| Heavy Atoms | 10 |
| Complexity | 128.0 |
| Vapor Pressure | 0.05 [mmHg] |
| SMILES | C1=CC(=CC=C1C(=O)Cl)Cl |
| InChIKey | RKIDDEGICSMIJA-UHFFFAOYSA-N |
Product Description
Applications: 4-Chlorobenzoyl 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).
4-Chlorobenzoyl chloride is a heterocyclic building block identified by CAS number 122-01-0 and the molecular formula C7H4Cl2O and a molecular weight of 173.96 g/mol. Synonyms include 4-CHLOROBENZOYL CHLORIDE and p-Chlorobenzoyl 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 4-Chlorobenzoyl chloride
Property Insights of 4-Chlorobenzoyl chloride
The XLogP value of 3.6 indicates that 4-Chlorobenzoyl chloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 4-Chlorobenzoyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chlorobenzoyl chloride 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 4-Chlorobenzoyl chloride?
The CAS number of 4-Chlorobenzoyl chloride is 122-01-0.
What is the molecular formula of 4-Chlorobenzoyl chloride?
The molecular formula of 4-Chlorobenzoyl chloride is C7H4Cl2O.
What is the molecular weight of 4-Chlorobenzoyl chloride?
The molecular weight of 4-Chlorobenzoyl chloride is 173.96391 g/mol.
What are the applications of 4-Chlorobenzoyl chloride?
4-Chlorobenzoyl 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 4-Chlorobenzoyl chloride?
You can request a quote for 4-Chlorobenzoyl chloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Chlorobenzoyl chloride?
Yes, CoreyChem provides custom synthesis services for 4-Chlorobenzoyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.