Benzoic Acid
TL;DR: Benzoic Acid (CAS 65-85-0) is a chemical compound with molecular formula C7H6O2 and molecular weight 122.03678 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
benzoic acid
Also Known As: benzoic acid, Dracylic acid, Carboxybenzene, Benzeneformic acid, benzenecarboxylic acid
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H6O2 |
| Molecular Weight | 122.03678 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 122.03678 Da |
| Heavy Atoms | 9 |
| Complexity | 103.0 |
| Purity | ≥99.5% |
| Melting Point | 252.3 °F (NTP, 1992) |
| Boiling Point | 480 °F at 760 mmHg (NTP, 1992) |
| Density | 1.316 at 82.4 °F (USCG, 1999) - Denser than water; will sink |
| Flash Point | 250 °F (NTP, 1992) |
| Vapor Pressure | 1 mmHg at 205 °F (NTP, 1992) |
| Refractive Index | Index of refraction = 1.504 at 132 °C/D |
| Solubility | less than 1 mg/mL at 68 °F (NTP, 1992) |
| SMILES | C1=CC=C(C=C1)C(=O)O |
| InChIKey | WPYMKLBDIGXBTP-UHFFFAOYSA-N |
Product Description
Applications: Benzoic 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. Typical specifications: commercial lots are supplied at ≥99.5%. CoreyChem supplies Benzoic Acid (CAS 65-85-0) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Benzoic Acid (CAS 65-85-0) is a pharmaceutical intermediate with the molecular formula C7H6O2 and a molecular weight of 122.04 g/mol. Key physical properties include a density of 1.316 at 82.4 °F (USCG, 1999) - Denser than water; will sink g/cm³, a solubility: less than 1 mg/mL at 68 °F (NTP, 1992). It is also known as benzoic acid and Dracylic acid.
CoreyChem provides it with COA documentation, and custom synthesis from milligram to multi-kilogram scales is available on request. Request a quotation with your required quantity and purity for current lead time and pricing.
Safety Information
H315, H318, H372
Chemical Property Profile of Benzoic Acid
Property Insights of Benzoic Acid
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic Acid. With a topological polar surface area (TPSA) of 37.3 Ų, Benzoic Acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic 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 Benzoic Acid?
The CAS number of Benzoic Acid is 65-85-0.
What is the molecular formula of Benzoic Acid?
The molecular formula of Benzoic Acid is C7H6O2.
What is the molecular weight of Benzoic Acid?
The molecular weight of Benzoic Acid is 122.03678 g/mol.
What are the applications of Benzoic Acid?
Benzoic 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. Typical specifications: commercial lots are supplied at...
Where can I buy Benzoic Acid?
You can request a quote for Benzoic Acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzoic Acid?
Yes, CoreyChem provides custom synthesis services for Benzoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.