Acetoacetanilide
TL;DR: Acetoacetanilide (CAS 102-01-2) is a chemical compound with molecular formula C10H11NO2 and molecular weight 177.07898 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-oxo-N-phenylbutanamide
Also Known As: ACETOACETANILIDE, 3-Oxo-N-phenylbutanamide, Acetylacetanilide, Acetoacetic anilide, Acetoacetanilid
Application Areas
Top 5 of 21 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H11NO2 |
| Molecular Weight | 177.07898 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 46.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 177.07898 Da |
| Heavy Atoms | 13 |
| Complexity | 195.0 |
| Melting Point | 187 °F (NTP, 1992) |
| Boiling Point | Decomposes (NTP, 1992) |
| Density | 1.26 at 68 °F (NTP, 1992) - Denser than water; will sink |
| Flash Point | 325 °F (NTP, 1992) |
| Vapor Pressure | 0.01 mmHg at 68 °F (NTP, 1992) |
| Solubility | less than 1 mg/mL at 70 °F (NTP, 1992) |
| SMILES | CC(=O)CC(=O)NC1=CC=CC=C1 |
| InChIKey | DYRDKSSFIWVSNM-UHFFFAOYSA-N |
Product Description
Applications: Acetoacetanilide is used in dye and pigment synthesis and coloration chemistry, as well as textile processing, dyeing, and finishing operations. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Acetoacetanilide (CAS 102-01-2) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Acetoacetanilide (CAS 102-01-2) is a dye and pigment intermediate with the molecular formula C10H11NO2 and a molecular weight of 177.08 g/mol. Key physical properties include a density of 1.26 at 68 °F (NTP, 1992) - Denser than water; will sink g/cm³, a solubility: less than 1 mg/mL at 70 °F (NTP, 1992). It is also known as ACETOACETANILIDE and 3-Oxo-N-phenylbutanamide.
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 Acetoacetanilide
Property Insights of Acetoacetanilide
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetoacetanilide. With a topological polar surface area (TPSA) of 46.2 Ų, Acetoacetanilide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetoacetanilide 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 Acetoacetanilide?
The CAS number of Acetoacetanilide is 102-01-2.
What is the molecular formula of Acetoacetanilide?
The molecular formula of Acetoacetanilide is C10H11NO2.
What is the molecular weight of Acetoacetanilide?
The molecular weight of Acetoacetanilide is 177.07898 g/mol.
What are the applications of Acetoacetanilide?
Acetoacetanilide is used in dye and pigment synthesis and coloration chemistry, as well as textile processing, dyeing, and finishing operations. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Acetoacetanilide (CAS 102-01-2) with custom synthesis...
Where can I buy Acetoacetanilide?
You can request a quote for Acetoacetanilide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Acetoacetanilide?
Yes, CoreyChem provides custom synthesis services for Acetoacetanilide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.