3-Chlorobenzoic Acid
TL;DR: 3-Chlorobenzoic Acid (CAS 535-80-8) is a chemical compound with molecular formula C7H5ClO2 and molecular weight 155.9978 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-chlorobenzoic acid
Also Known As: 3-chlorobenzoic acid, m-chlorobenzoic acid, Benzoic acid, 3-chloro-, Benzoic acid, m-chloro-, 3-chlorobenzoicacid
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H5ClO2 |
| Molecular Weight | 155.9978 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 155.9978 Da |
| Heavy Atoms | 10 |
| Complexity | 136.0 |
| Melting Point | 316 °F (NTP, 1992) |
| Boiling Point | Sublimes (NTP, 1992) |
| Density | 1.496 at 77 °F (NTP, 1992) - Denser than water; will sink |
| Vapor Pressure | 0.00233 [mmHg] |
| Solubility | less than 1 mg/mL at 67.1 °F (NTP, 1992) |
| SMILES | C1=CC(=CC(=C1)Cl)C(=O)O |
| InChIKey | LULAYUGMBFYYEX-UHFFFAOYSA-N |
Product Description
Applications: 3-Chlorobenzoic 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).
A heterocyclic building block supplied by CoreyChem, 3-Chlorobenzoic Acid (CAS 535-80-8) has the molecular formula C7H5ClO2 and a molecular weight of 156 g/mol. Reported properties include a density of 1.496 at 77 °F (NTP, 1992) - Denser than water; will sink g/cm³, a solubility: less than 1 mg/mL at 67.1 °F (NTP, 1992). Synonyms include 3-chlorobenzoic acid and m-chlorobenzoic 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 3-Chlorobenzoic Acid
Property Insights of 3-Chlorobenzoic Acid
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chlorobenzoic Acid. With a topological polar surface area (TPSA) of 37.3 Ų, 3-Chlorobenzoic Acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chlorobenzoic 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-Chlorobenzoic Acid?
The CAS number of 3-Chlorobenzoic Acid is 535-80-8.
What is the molecular formula of 3-Chlorobenzoic Acid?
The molecular formula of 3-Chlorobenzoic Acid is C7H5ClO2.
What is the molecular weight of 3-Chlorobenzoic Acid?
The molecular weight of 3-Chlorobenzoic Acid is 155.9978 g/mol.
What are the applications of 3-Chlorobenzoic Acid?
3-Chlorobenzoic 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 3-Chlorobenzoic Acid?
You can request a quote for 3-Chlorobenzoic Acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Chlorobenzoic Acid?
Yes, CoreyChem provides custom synthesis services for 3-Chlorobenzoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.