Acetic acid, 2-chloro-, phenylmethyl ester
TL;DR: Acetic acid, 2-chloro-, phenylmethyl ester (CAS 140-18-1) is a chemical compound with molecular formula C9H9ClO2 and molecular weight 184.02911 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
benzyl 2-chloroacetate
Also Known As: benzyl 2-chloroacetate, Benzyl chloroacetate, Monochloroacetate, Benzyl monochloracetate, Benzylchloroacetate
Application Areas
Top 5 of 14 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H9ClO2 |
| Molecular Weight | 184.02911 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 184.02911 Da |
| Heavy Atoms | 12 |
| Complexity | 141.0 |
| SMILES | C1=CC=C(C=C1)COC(=O)CCl |
| InChIKey | SOGXBRHOWDEKQB-UHFFFAOYSA-N |
Product Description
Applications: Acetic acid, 2-chloro-, phenylmethyl ester is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. 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, Acetic acid, 2-chloro-, phenylmethyl ester (CAS 140-18-1) has the molecular formula C9H9ClO2 and a molecular weight of 184.03 g/mol. Synonyms include benzyl 2-chloroacetate and Benzyl chloroacetate.
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 Acetic acid, 2-chloro-, phenylmethyl ester
Property Insights of Acetic acid, 2-chloro-, phenylmethyl ester
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, 2-chloro-, phenylmethyl ester. With a topological polar surface area (TPSA) of 26.3 Ų, Acetic acid, 2-chloro-, phenylmethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, 2-chloro-, phenylmethyl ester has 0 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 Acetic acid, 2-chloro-, phenylmethyl ester?
The CAS number of Acetic acid, 2-chloro-, phenylmethyl ester is 140-18-1.
What is the molecular formula of Acetic acid, 2-chloro-, phenylmethyl ester?
The molecular formula of Acetic acid, 2-chloro-, phenylmethyl ester is C9H9ClO2.
What is the molecular weight of Acetic acid, 2-chloro-, phenylmethyl ester?
The molecular weight of Acetic acid, 2-chloro-, phenylmethyl ester is 184.02911 g/mol.
What are the applications of Acetic acid, 2-chloro-, phenylmethyl ester?
Acetic acid, 2-chloro-, phenylmethyl ester is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as...
Where can I buy Acetic acid, 2-chloro-, phenylmethyl ester?
You can request a quote for Acetic acid, 2-chloro-, phenylmethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Acetic acid, 2-chloro-, phenylmethyl ester?
Yes, CoreyChem provides custom synthesis services for Acetic acid, 2-chloro-, phenylmethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.