2,5-Dichlorobenzoic acid
TL;DR: 2,5-Dichlorobenzoic acid (CAS 50-79-3) is a chemical compound with molecular formula C7H4Cl2O2 and molecular weight 189.95883 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,5-dichlorobenzoic acid
Also Known As: 2,5-DICHLOROBENZOIC ACID, Benzoic acid, 2,5-dichloro-, flavin semiquinone, 2,5-dichlorobenzoicacid, 2,5-Dichlorobenzoate
Application Areas
Top 5 of 16 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H4Cl2O2 |
| Molecular Weight | 189.95883 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 189.95883 Da |
| Heavy Atoms | 11 |
| Complexity | 161.0 |
| Melting Point | 304 to 309 °F (NTP, 1992) |
| Boiling Point | 574 °F at 760 mmHg (NTP, 1992) |
| Vapor Pressure | 0.000447 [mmHg] |
| Solubility | less than 1 mg/mL at 66 °F (NTP, 1992) |
| SMILES | C1=CC(=C(C=C1Cl)C(=O)O)Cl |
| InChIKey | QVTQYSFCFOGITD-UHFFFAOYSA-N |
Product Description
Applications: 2,5-Dichlorobenzoic acid is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 2,5-Dichlorobenzoic acid (CAS 50-79-3) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
2,5-Dichlorobenzoic acid (CAS 50-79-3) is a heterocyclic building block with the molecular formula C7H4Cl2O2 and a molecular weight of 189.96 g/mol. Key physical properties include a solubility: less than 1 mg/mL at 66 °F (NTP, 1992). It is also known as 2,5-DICHLOROBENZOIC ACID and Benzoic acid, 2,5-dichloro-.
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 2,5-Dichlorobenzoic acid
Property Insights of 2,5-Dichlorobenzoic acid
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,5-Dichlorobenzoic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 2,5-Dichlorobenzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,5-Dichlorobenzoic 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 2,5-Dichlorobenzoic acid?
The CAS number of 2,5-Dichlorobenzoic acid is 50-79-3.
What is the molecular formula of 2,5-Dichlorobenzoic acid?
The molecular formula of 2,5-Dichlorobenzoic acid is C7H4Cl2O2.
What is the molecular weight of 2,5-Dichlorobenzoic acid?
The molecular weight of 2,5-Dichlorobenzoic acid is 189.95883 g/mol.
What are the applications of 2,5-Dichlorobenzoic acid?
2,5-Dichlorobenzoic acid is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies...
Where can I buy 2,5-Dichlorobenzoic acid?
You can request a quote for 2,5-Dichlorobenzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,5-Dichlorobenzoic acid?
Yes, CoreyChem provides custom synthesis services for 2,5-Dichlorobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.