4-(Chloromethyl)benzoic acid
TL;DR: 4-(Chloromethyl)benzoic acid (CAS 1642-81-5) 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-(chloromethyl)benzoic acid
Also Known As: 4-(Chloromethyl)benzoic acid, alpha-Chloro-p-toluic acid, 4-Chloromethylbenzoic acid, Benzoic acid, 4-(chloromethyl)-, 4-Carboxybenzyl 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 | 2.2 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 170.01346 Da |
| Heavy Atoms | 11 |
| Complexity | 139.0 |
| SMILES | C1=CC(=CC=C1CCl)C(=O)O |
| InChIKey | OITNBJHJJGMFBN-UHFFFAOYSA-N |
Chemical Property Profile of 4-(Chloromethyl)benzoic acid
Property Insights of 4-(Chloromethyl)benzoic acid
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Chloromethyl)benzoic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 4-(Chloromethyl)benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Chloromethyl)benzoic acid has 1 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 4-(Chloromethyl)benzoic acid?
The CAS number of 4-(Chloromethyl)benzoic acid is 1642-81-5.
What is the molecular formula of 4-(Chloromethyl)benzoic acid?
The molecular formula of 4-(Chloromethyl)benzoic acid is C8H7ClO2.
What is the molecular weight of 4-(Chloromethyl)benzoic acid?
The molecular weight of 4-(Chloromethyl)benzoic acid is 170.01346 g/mol.
Where can I buy 4-(Chloromethyl)benzoic acid?
You can request a quote for 4-(Chloromethyl)benzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(Chloromethyl)benzoic acid?
Yes, CoreyChem provides custom synthesis services for 4-(Chloromethyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.