3-Chloropropionic acid
TL;DR: 3-Chloropropionic acid (CAS 107-94-8) is a chemical compound with molecular formula C3H5ClO2 and molecular weight 107.99781 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-chloropropanoic acid
Also Known As: 3-Chloropropanoic acid, 3-CHLOROPROPIONIC ACID, Propanoic acid, 3-chloro-, beta-Chloropropionic acid, null
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C3H5ClO2 |
| Molecular Weight | 107.99781 g/mol |
| XLogP | 0.4 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 107.99781 Da |
| Heavy Atoms | 6 |
| Complexity | 52.0 |
| Melting Point | 106 °F (USCG, 1999) |
| Boiling Point | 392 °F at 760 mmHg (USCG, 1999) |
| Density | 1.26 (USCG, 1999) - Denser than water; will sink |
| Flash Point | greater than 230 °F (USCG, 1999) |
| Vapor Pressure | 0.33 [mmHg] |
| Solubility | FREELY SOL IN WATER, ALC, CHLOROFORM |
| SMILES | C(CCl)C(=O)O |
| InChIKey | QEYMMOKECZBKAC-UHFFFAOYSA-N |
Chemical Property Profile of 3-Chloropropionic acid
Property Insights of 3-Chloropropionic acid
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chloropropionic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 3-Chloropropionic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloropropionic 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 3-Chloropropionic acid?
The CAS number of 3-Chloropropionic acid is 107-94-8.
What is the molecular formula of 3-Chloropropionic acid?
The molecular formula of 3-Chloropropionic acid is C3H5ClO2.
What is the molecular weight of 3-Chloropropionic acid?
The molecular weight of 3-Chloropropionic acid is 107.99781 g/mol.
Where can I buy 3-Chloropropionic acid?
You can request a quote for 3-Chloropropionic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Chloropropionic acid?
Yes, CoreyChem provides custom synthesis services for 3-Chloropropionic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.