o-Chloroacetanilide
TL;DR: o-Chloroacetanilide (CAS 533-17-5) is a chemical compound with molecular formula C8H8ClNO and molecular weight 169.02943 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(2-chlorophenyl)acetamide
Also Known As: 2'-Chloroacetanilide, N-(2-Chlorophenyl)acetamide, O-CHLOROACETANILIDE, 2'-Chloro acetanilide, Acetamide, N-(2-chlorophenyl)-
Application Areas
Top 5 of 9 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H8ClNO |
| Molecular Weight | 169.02943 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 169.02943 Da |
| Heavy Atoms | 11 |
| Complexity | 149.0 |
| Melting Point | 88 °C |
| Vapor Pressure | 0.0000963 [mmHg] |
| Refractive Index | INDEX OF REFRACTION (95% ETHANOL): 240 NM (LOG E= 4.02) |
| Solubility | PRACTICALLY INSOL IN WATER, ALKALIES; SOL IN ALCOHOL |
| SMILES | CC(=O)NC1=CC=CC=C1Cl |
| InChIKey | KNVQTRVKSOEHPU-UHFFFAOYSA-N |
Product Description
Applications: o-Chloroacetanilide is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as agrochemical development, including crop protection agent synthesis. 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 heterocyclic building block supplied by CoreyChem, o-Chloroacetanilide (CAS 533-17-5) has the molecular formula C8H8ClNO and a molecular weight of 169.03 g/mol. Reported properties include a solubility: PRACTICALLY INSOL IN WATER, ALKALIES; SOL IN ALCOHOL. Synonyms include 2'-Chloroacetanilide and N-(2-Chlorophenyl)acetamide.
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 o-Chloroacetanilide
Property Insights of o-Chloroacetanilide
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for o-Chloroacetanilide. With a topological polar surface area (TPSA) of 29.1 Ų, o-Chloroacetanilide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, o-Chloroacetanilide has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of o-Chloroacetanilide?
The CAS number of o-Chloroacetanilide is 533-17-5.
What is the molecular formula of o-Chloroacetanilide?
The molecular formula of o-Chloroacetanilide is C8H8ClNO.
What is the molecular weight of o-Chloroacetanilide?
The molecular weight of o-Chloroacetanilide is 169.02943 g/mol.
What are the applications of o-Chloroacetanilide?
o-Chloroacetanilide is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as agrochemical development, including crop protection agent synthesis. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both...
Where can I buy o-Chloroacetanilide?
You can request a quote for o-Chloroacetanilide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for o-Chloroacetanilide?
Yes, CoreyChem provides custom synthesis services for o-Chloroacetanilide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.