3,4-Dichlorobenzoic acid
TL;DR: 3,4-Dichlorobenzoic acid (CAS 51-44-5) 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.
3,4-dichlorobenzoic acid
Also Known As: 3,4-DICHLOROBENZOIC ACID, Benzoic acid, 3,4-dichloro-, Synstigmine, Syntostigmin, Vagostigmin
Application Areas
Top 5 of 18 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H4Cl2O2 |
| Molecular Weight | 189.95883 g/mol |
| XLogP | 3.5 |
| 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 |
| SMILES | C1=CC(=C(C=C1C(=O)O)Cl)Cl |
| InChIKey | VPHHJAOJUJHJKD-UHFFFAOYSA-N |
Product Description
Applications: 3,4-Dichlorobenzoic acid 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. CoreyChem supplies 3,4-Dichlorobenzoic acid (CAS 51-44-5) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
3,4-Dichlorobenzoic acid (CAS 51-44-5) is a heterocyclic building block with the molecular formula C7H4Cl2O2 and a molecular weight of 189.96 g/mol. It is also known as 3,4-DICHLOROBENZOIC ACID and Benzoic acid, 3,4-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 3,4-Dichlorobenzoic acid
Property Insights of 3,4-Dichlorobenzoic acid
The XLogP value of 3.5 indicates that 3,4-Dichlorobenzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 3,4-Dichlorobenzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-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 3,4-Dichlorobenzoic acid?
The CAS number of 3,4-Dichlorobenzoic acid is 51-44-5.
What is the molecular formula of 3,4-Dichlorobenzoic acid?
The molecular formula of 3,4-Dichlorobenzoic acid is C7H4Cl2O2.
What is the molecular weight of 3,4-Dichlorobenzoic acid?
The molecular weight of 3,4-Dichlorobenzoic acid is 189.95883 g/mol.
What are the applications of 3,4-Dichlorobenzoic acid?
3,4-Dichlorobenzoic acid 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. CoreyChem supplies 3,4-Dichlorobenzoic acid (CAS...
Where can I buy 3,4-Dichlorobenzoic acid?
You can request a quote for 3,4-Dichlorobenzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,4-Dichlorobenzoic acid?
Yes, CoreyChem provides custom synthesis services for 3,4-Dichlorobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.