2-Bromobenzoic acid
TL;DR: 2-Bromobenzoic acid (CAS 88-65-3) is a chemical compound with molecular formula C7H5BrO2 and molecular weight 199.9473 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-bromobenzoic acid
Also Known As: 2-BROMOBENZOIC ACID, o-Bromobenzoic acid, Benzoic acid, 2-bromo-, 2-Bromobenzoate, Bromobenzoic acid
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H5BrO2 |
| Molecular Weight | 199.9473 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 199.9473 Da |
| Heavy Atoms | 10 |
| Complexity | 136.0 |
| Vapor Pressure | 0.000827 [mmHg] |
| SMILES | C1=CC=C(C(=C1)C(=O)O)Br |
| InChIKey | XRXMNWGCKISMOH-UHFFFAOYSA-N |
Product Description
Applications: 2-Bromobenzoic 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. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
2-Bromobenzoic acid is a heterocyclic building block identified by CAS number 88-65-3 and the molecular formula C7H5BrO2 and a molecular weight of 199.95 g/mol. Synonyms include 2-BROMOBENZOIC ACID and o-Bromobenzoic acid.
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-Bromobenzoic acid
Property Insights of 2-Bromobenzoic acid
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Bromobenzoic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 2-Bromobenzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromobenzoic 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-Bromobenzoic acid?
The CAS number of 2-Bromobenzoic acid is 88-65-3.
What is the molecular formula of 2-Bromobenzoic acid?
The molecular formula of 2-Bromobenzoic acid is C7H5BrO2.
What is the molecular weight of 2-Bromobenzoic acid?
The molecular weight of 2-Bromobenzoic acid is 199.9473 g/mol.
What are the applications of 2-Bromobenzoic acid?
2-Bromobenzoic 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. Available from CoreyChem as both catalog item and...
Where can I buy 2-Bromobenzoic acid?
You can request a quote for 2-Bromobenzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Bromobenzoic acid?
Yes, CoreyChem provides custom synthesis services for 2-Bromobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.