4-Hydroxybenzoic Acid
TL;DR: 4-Hydroxybenzoic Acid (CAS 99-96-7) is a chemical compound with molecular formula C7H6O3 and molecular weight 138.0317 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-hydroxybenzoic acid
Also Known As: 4-HYDROXYBENZOIC ACID, p-Hydroxybenzoic acid, p-Salicylic acid, 4-Carboxyphenol, 4-hydroxybenzoate
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H6O3 |
| Molecular Weight | 138.0317 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 138.0317 Da |
| Heavy Atoms | 10 |
| Complexity | 125.0 |
| Melting Point | 214.5 °C |
| Boiling Point | 334.00 to 335.00 °C. @ 760.00 mm Hg |
| Density | 1.46 g/cu cm @ 25 °C |
| Vapor Pressure | 0.00000019 [mmHg] |
| Solubility | Solubility (in 100 g of solution): 99% ethanol 38.75 g (67 °C); n-butanol 19.5 g (32.5 °C) |
| SMILES | C1=CC(=CC=C1C(=O)O)O |
| InChIKey | FJKROLUGYXJWQN-UHFFFAOYSA-N |
Product Description
Applications: 4-Hydroxybenzoic 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).
4-Hydroxybenzoic Acid is a pharmaceutical intermediate identified by CAS number 99-96-7 and the molecular formula C7H6O3 and a molecular weight of 138.03 g/mol. Physically, the compound has a density of 1.46 g/cu cm @ 25 °C g/cm³, a solubility: Solubility (in 100 g of solution): 99% ethanol 38.75 g (67 °C); n-butanol 19.5 g (32.5 °C). Synonyms include 4-HYDROXYBENZOIC ACID and p-Hydroxybenzoic 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-Hydroxybenzoic Acid
Property Insights of 4-Hydroxybenzoic Acid
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Hydroxybenzoic Acid. With a topological polar surface area (TPSA) of 57.5 Ų, 4-Hydroxybenzoic Acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Hydroxybenzoic 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 4-Hydroxybenzoic Acid?
The CAS number of 4-Hydroxybenzoic Acid is 99-96-7.
What is the molecular formula of 4-Hydroxybenzoic Acid?
The molecular formula of 4-Hydroxybenzoic Acid is C7H6O3.
What is the molecular weight of 4-Hydroxybenzoic Acid?
The molecular weight of 4-Hydroxybenzoic Acid is 138.0317 g/mol.
What are the applications of 4-Hydroxybenzoic Acid?
4-Hydroxybenzoic 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...
Where can I buy 4-Hydroxybenzoic Acid?
You can request a quote for 4-Hydroxybenzoic Acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Hydroxybenzoic Acid?
Yes, CoreyChem provides custom synthesis services for 4-Hydroxybenzoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.