3-Amino-2-chlorobenzoic acid
TL;DR: 3-Amino-2-chlorobenzoic acid (CAS 108679-71-6) is a chemical compound with molecular formula C7H6ClNO2 and molecular weight 171.00871 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-amino-2-chlorobenzoic acid
Also Known As: 3-Amino-2-chlorobenzoic acid, aminochlorobenzoic acid, 2-Chloro-3-aminobenzoic acid, 3-amino-2-chloro-benzoic acid, 3-aminochlorobenzoic acid
Application Areas
Top 5 of 9 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H6ClNO2 |
| Molecular Weight | 171.00871 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 63.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 171.00871 Da |
| Heavy Atoms | 11 |
| Complexity | 163.0 |
| SMILES | C1=CC(=C(C(=C1)N)Cl)C(=O)O |
| InChIKey | IQMIVFNEHPKEAI-UHFFFAOYSA-N |
Product Description
Applications: 3-Amino-2-chlorobenzoic 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).
3-Amino-2-chlorobenzoic acid is a pharmaceutical intermediate identified by CAS number 108679-71-6 and the molecular formula C7H6ClNO2 and a molecular weight of 171.01 g/mol. Synonyms include 3-Amino-2-chlorobenzoic acid and aminochlorobenzoic acid.
Custom synthesis (mg to ton scale), HPLC/NMR/MS analytical support, and complete COA/MSDS documentation are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 3-Amino-2-chlorobenzoic acid
Property Insights of 3-Amino-2-chlorobenzoic acid
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Amino-2-chlorobenzoic acid. The TPSA of 63.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Amino-2-chlorobenzoic acid. Following Lipinski's Rule of Five, 3-Amino-2-chlorobenzoic acid has 2 hydrogen bond donor(s) and 3 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-Amino-2-chlorobenzoic acid?
The CAS number of 3-Amino-2-chlorobenzoic acid is 108679-71-6.
What is the molecular formula of 3-Amino-2-chlorobenzoic acid?
The molecular formula of 3-Amino-2-chlorobenzoic acid is C7H6ClNO2.
What is the molecular weight of 3-Amino-2-chlorobenzoic acid?
The molecular weight of 3-Amino-2-chlorobenzoic acid is 171.00871 g/mol.
What are the applications of 3-Amino-2-chlorobenzoic acid?
3-Amino-2-chlorobenzoic 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-Amino-2-chlorobenzoic acid?
You can request a quote for 3-Amino-2-chlorobenzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Amino-2-chlorobenzoic acid?
Yes, CoreyChem provides custom synthesis services for 3-Amino-2-chlorobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.