p-Chloroacetoacetanilide
TL;DR: p-Chloroacetoacetanilide (CAS 101-92-8) is a chemical compound with molecular formula C10H10ClNO2 and molecular weight 211.04001 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(4-chlorophenyl)-3-oxobutanamide
Also Known As: 4'-Chloroacetoacetanilide, N-(4-Chlorophenyl)-3-oxobutanamide, P-CHLOROACETOACETANILIDE, Acetoacet-p-chloroanilide, aapca
Application Areas
Top 5 of 11 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H10ClNO2 |
| Molecular Weight | 211.04001 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 46.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 211.04001 Da |
| Heavy Atoms | 14 |
| Complexity | 222.0 |
| Melting Point | 66-67 °C |
| Solubility | VERY SOL IN ALCOHOL, ETHER, BENZENE |
| SMILES | CC(=O)CC(=O)NC1=CC=C(C=C1)Cl |
| InChIKey | JMRJWEJJUKUBEA-UHFFFAOYSA-N |
Product Description
Applications: p-Chloroacetoacetanilide is used in dye and pigment synthesis and coloration chemistry, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies p-Chloroacetoacetanilide (CAS 101-92-8) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
p-Chloroacetoacetanilide is a dye and pigment intermediate identified by CAS number 101-92-8 and the molecular formula C10H10ClNO2 and a molecular weight of 211.04 g/mol. Physically, the compound has a solubility: VERY SOL IN ALCOHOL, ETHER, BENZENE. It is also known as 4'-Chloroacetoacetanilide and N-(4-Chlorophenyl)-3-oxobutanamide.
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 p-Chloroacetoacetanilide
Property Insights of p-Chloroacetoacetanilide
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for p-Chloroacetoacetanilide. With a topological polar surface area (TPSA) of 46.2 Ų, p-Chloroacetoacetanilide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, p-Chloroacetoacetanilide 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 p-Chloroacetoacetanilide?
The CAS number of p-Chloroacetoacetanilide is 101-92-8.
What is the molecular formula of p-Chloroacetoacetanilide?
The molecular formula of p-Chloroacetoacetanilide is C10H10ClNO2.
What is the molecular weight of p-Chloroacetoacetanilide?
The molecular weight of p-Chloroacetoacetanilide is 211.04001 g/mol.
What are the applications of p-Chloroacetoacetanilide?
p-Chloroacetoacetanilide is used in dye and pigment synthesis and coloration chemistry, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies p-Chloroacetoacetanilide (CAS...
Where can I buy p-Chloroacetoacetanilide?
You can request a quote for p-Chloroacetoacetanilide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for p-Chloroacetoacetanilide?
Yes, CoreyChem provides custom synthesis services for p-Chloroacetoacetanilide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.