4-(Chloromethyl)benzoyl chloride
TL;DR: 4-(Chloromethyl)benzoyl chloride (CAS 876-08-4) is a chemical compound with molecular formula C8H6Cl2O and molecular weight 187.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(chloromethyl)benzoyl chloride
Also Known As: 4-(Chloromethyl)benzoyl chloride, null, 4-chloromethylbenzoyl chloride, p-chloromethylbenzoyl chloride, Benzoyl chloride, 4-(chloromethyl)-
| Molecular Formula | C8H6Cl2O |
|---|---|
| Molecular Weight | 187.98 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 187.97957 |
| Heavy Atoms | 11 |
| Complexity | 139.0 |
Chemical Identifiers
| CAS Number | 876-08-4 |
|---|---|
| SMILES | C1=CC(=CC=C1CCl)C(=O)Cl |
| InChIKey | RCOVTJVRTZGSBP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(Chloromethyl)benzoyl chloride (CAS 876-08-4), with molecular formula C8H6Cl2O and molecular weight 187.98 g/mol. IUPAC: 4-(chloromethyl)benzoyl chloride.
Chemical Property Profile of 4-(Chloromethyl)benzoyl chloride
Property Insights of 4-(Chloromethyl)benzoyl chloride
The XLogP value of 3.2 indicates that 4-(Chloromethyl)benzoyl 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-(Chloromethyl)benzoyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Chloromethyl)benzoyl 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
Frequently Asked Questions
What is the CAS number of 4-(Chloromethyl)benzoyl chloride?
The CAS number of 4-(Chloromethyl)benzoyl chloride is 876-08-4.
What is the molecular formula of 4-(Chloromethyl)benzoyl chloride?
The molecular formula of 4-(Chloromethyl)benzoyl chloride is C8H6Cl2O.
What is the molecular weight of 4-(Chloromethyl)benzoyl chloride?
The molecular weight of 4-(Chloromethyl)benzoyl chloride is 187.98 g/mol.
Where can I buy 4-(Chloromethyl)benzoyl chloride?
You can request a quote for 4-(Chloromethyl)benzoyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Chloromethyl)benzoyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 4-(Chloromethyl)benzoyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.