Aspirin
TL;DR: Aspirin (CAS 50-78-2) is a chemical compound with molecular formula C9H8O4 and molecular weight 180.04225 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-acetyloxybenzoic acid
Also Known As: aspirin, ACETYLSALICYLIC ACID, 2-Acetoxybenzoic acid, Acylpyrin, Acetosal
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H8O4 |
| Molecular Weight | 180.04225 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 180.04225 Da |
| Heavy Atoms | 13 |
| Complexity | 212.0 |
| Melting Point | 275 °F (NTP, 1992) |
| Boiling Point | 284 °F at 760 mmHg (decomposes) (NTP, 1992) |
| Density | 1.4 (NTP, 1992) - Denser than water; will sink |
| Flash Point | 482 °F (NTP, 1992) |
| Vapor Pressure | 0 mmHg (approx) (NIOSH, 2024) |
| Solubility | less than 1 mg/mL at 73 °F (NTP, 1992) |
| SMILES | CC(=O)OC1=CC=CC=C1C(=O)O |
| InChIKey | BSYNRYMUTXBXSQ-UHFFFAOYSA-N |
Product Description
Applications: Aspirin 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).
A pharmaceutical intermediate supplied by CoreyChem, Aspirin (CAS 50-78-2) has the molecular formula C9H8O4 and a molecular weight of 180.04 g/mol. Reported properties include a density of 1.4 (NTP, 1992) - Denser than water; will sink g/cm³, a solubility: less than 1 mg/mL at 73 °F (NTP, 1992). Synonyms include aspirin and ACETYLSALICYLIC 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 Aspirin
Property Insights of Aspirin
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Aspirin. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Aspirin. Following Lipinski's Rule of Five, Aspirin has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Aspirin?
The CAS number of Aspirin is 50-78-2.
What is the molecular formula of Aspirin?
The molecular formula of Aspirin is C9H8O4.
What is the molecular weight of Aspirin?
The molecular weight of Aspirin is 180.04225 g/mol.
What are the applications of Aspirin?
Aspirin 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...
Where can I buy Aspirin?
You can request a quote for Aspirin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Aspirin?
Yes, CoreyChem provides custom synthesis services for Aspirin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.