4-Chlorobenzoic Acid
TL;DR: 4-Chlorobenzoic Acid (CAS 74-11-3) 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.
4-chlorobenzoic acid
Also Known As: 4-Chlorobenzoic acid, P-CHLOROBENZOIC ACID, Chlorodracylic acid, Benzoic acid, 4-chloro-, p-Chlorbenzoic acid
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 | 128.0 |
| Melting Point | 469 °F (NTP, 1992) |
| Boiling Point | Sublimes (NTP, 1992) |
| Density | 1.541 at 75 °F (NTP, 1992) - Denser than water; will sink |
| Flash Point | 238 °C |
| Vapor Pressure | 0.00233 [mmHg] |
| Solubility | less than 1 mg/mL at 59 °F (NTP, 1992) |
| SMILES | C1=CC(=CC=C1C(=O)O)Cl |
| InChIKey | XRHGYUZYPHTUJZ-UHFFFAOYSA-N |
Product Description
Applications: 4-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. CoreyChem supplies 4-Chlorobenzoic Acid (CAS 74-11-3) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
4-Chlorobenzoic Acid (CAS 74-11-3) is a heterocyclic building block with the molecular formula C7H5ClO2 and a molecular weight of 156 g/mol. Key physical properties include a density of 1.541 at 75 °F (NTP, 1992) - Denser than water; will sink g/cm³, a solubility: less than 1 mg/mL at 59 °F (NTP, 1992). It is also known as 4-Chlorobenzoic acid and P-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 4-Chlorobenzoic Acid
Property Insights of 4-Chlorobenzoic Acid
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chlorobenzoic Acid. With a topological polar surface area (TPSA) of 37.3 Ų, 4-Chlorobenzoic Acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-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 4-Chlorobenzoic Acid?
The CAS number of 4-Chlorobenzoic Acid is 74-11-3.
What is the molecular formula of 4-Chlorobenzoic Acid?
The molecular formula of 4-Chlorobenzoic Acid is C7H5ClO2.
What is the molecular weight of 4-Chlorobenzoic Acid?
The molecular weight of 4-Chlorobenzoic Acid is 155.9978 g/mol.
What are the applications of 4-Chlorobenzoic Acid?
4-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. CoreyChem supplies 4-Chlorobenzoic Acid (CAS 74-11-3)...
Where can I buy 4-Chlorobenzoic Acid?
You can request a quote for 4-Chlorobenzoic Acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Chlorobenzoic Acid?
Yes, CoreyChem provides custom synthesis services for 4-Chlorobenzoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.