4'-Chloroacetyl(acetanilide)
TL;DR: 4'-Chloroacetyl(acetanilide) (CAS 140-49-8) 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-(2-chloroacetyl)phenyl]acetamide
Also Known As: 4'-(Chloroacetyl)acetanilide, p-Acetamidophenacyl chloride, 4-(Chloroacetyl)acetanilide, 4-Chloroacetylacetanilide, 1-Acetamido-4-chloroacetylbenzene
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 | 1.9 |
| 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 | 410.7 to 414.3 °F (NTP, 1992) |
| Boiling Point | Decomposes (NTP, 1992) |
| Density | 1.348 (NTP, 1992) - Denser than water; will sink |
| Flash Point | 230 °F (NTP, 1992) |
| Vapor Pressure | less than 0.011 mmHg at 68 °F (NTP, 1992) |
| Solubility | less than 1 mg/mL at 66 °F (NTP, 1992) |
| SMILES | CC(=O)NC1=CC=C(C=C1)C(=O)CCl |
| InChIKey | VMMDOCYDNRLESP-UHFFFAOYSA-N |
Product Description
Applications: 4'-Chloroacetyl(acetanilide) 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. CoreyChem supplies 4'-Chloroacetyl(acetanilide) (CAS 140-49-8) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
4'-Chloroacetyl(acetanilide) (CAS 140-49-8) is a pharmaceutical intermediate with the molecular formula C10H10ClNO2 and a molecular weight of 211.04 g/mol. Key physical properties include a density of 1.348 (NTP, 1992) - Denser than water; will sink g/cm³, a solubility: less than 1 mg/mL at 66 °F (NTP, 1992). It is also known as 4'-(Chloroacetyl)acetanilide and p-Acetamidophenacyl chloride.
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'-Chloroacetyl(acetanilide)
Property Insights of 4'-Chloroacetyl(acetanilide)
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4'-Chloroacetyl(acetanilide). With a topological polar surface area (TPSA) of 46.2 Ų, 4'-Chloroacetyl(acetanilide) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4'-Chloroacetyl(acetanilide) 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 4'-Chloroacetyl(acetanilide)?
The CAS number of 4'-Chloroacetyl(acetanilide) is 140-49-8.
What is the molecular formula of 4'-Chloroacetyl(acetanilide)?
The molecular formula of 4'-Chloroacetyl(acetanilide) is C10H10ClNO2.
What is the molecular weight of 4'-Chloroacetyl(acetanilide)?
The molecular weight of 4'-Chloroacetyl(acetanilide) is 211.04001 g/mol.
What are the applications of 4'-Chloroacetyl(acetanilide)?
4'-Chloroacetyl(acetanilide) 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. CoreyChem supplies...
Where can I buy 4'-Chloroacetyl(acetanilide)?
You can request a quote for 4'-Chloroacetyl(acetanilide) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4'-Chloroacetyl(acetanilide)?
Yes, CoreyChem provides custom synthesis services for 4'-Chloroacetyl(acetanilide) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.