3,4,5-Trichlorobenzoic acid
TL;DR: 3,4,5-Trichlorobenzoic acid (CAS 51-39-8) is a chemical compound with molecular formula C7H3Cl3O2 and molecular weight 223.91986 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,4,5-trichlorobenzoic acid
Also Known As: 3,4,5-Trichlorobenzoic acid, 3,4,5-Trichloro-benzoicacid, 3,4,5-trichlorobenzoicacid, BENZOIC ACID, 3,4,5-TRICHLORO-, 3,4,5-TRICHLORO-BENZOIC ACID
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H3Cl3O2 |
| Molecular Weight | 223.91986 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 223.91986 Da |
| Heavy Atoms | 12 |
| Complexity | 173.0 |
| SMILES | C1=C(C=C(C(=C1Cl)Cl)Cl)C(=O)O |
| InChIKey | ICUICNRYLHKQGS-UHFFFAOYSA-N |
Product Description
Applications: 3,4,5-Trichlorobenzoic acid is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
A pharmaceutical intermediate supplied by CoreyChem, 3,4,5-Trichlorobenzoic acid (CAS 51-39-8) has the molecular formula C7H3Cl3O2 and a molecular weight of 223.92 g/mol. Synonyms include 3,4,5-Trichlorobenzoic acid and 3,4,5-Trichloro-benzoicacid.
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 3,4,5-Trichlorobenzoic acid
Property Insights of 3,4,5-Trichlorobenzoic acid
The XLogP value of 3.6 indicates that 3,4,5-Trichlorobenzoic 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, 3,4,5-Trichlorobenzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4,5-Trichlorobenzoic 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 3,4,5-Trichlorobenzoic acid?
The CAS number of 3,4,5-Trichlorobenzoic acid is 51-39-8.
What is the molecular formula of 3,4,5-Trichlorobenzoic acid?
The molecular formula of 3,4,5-Trichlorobenzoic acid is C7H3Cl3O2.
What is the molecular weight of 3,4,5-Trichlorobenzoic acid?
The molecular weight of 3,4,5-Trichlorobenzoic acid is 223.91986 g/mol.
What are the applications of 3,4,5-Trichlorobenzoic acid?
3,4,5-Trichlorobenzoic acid is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item...
Where can I buy 3,4,5-Trichlorobenzoic acid?
You can request a quote for 3,4,5-Trichlorobenzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,4,5-Trichlorobenzoic acid?
Yes, CoreyChem provides custom synthesis services for 3,4,5-Trichlorobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.