2,2-Dichloroethyl benzoate
TL;DR: 2,2-Dichloroethyl benzoate (CAS 37934-98-8) is a chemical compound with molecular formula C9H8Cl2O2 and molecular weight 217.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dichloroethyl benzoate
Also Known As: 2,2-Dichloroethyl benzoate, benzoic acid,2,2-dichloroethanol, Benzoic acid, 2,2-dichloroethyl ester
| Molecular Formula | C9H8Cl2O2 |
|---|---|
| Molecular Weight | 217.99 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 217.99013 |
| Heavy Atoms | 13 |
| Complexity | 165.0 |
Chemical Identifiers
| CAS Number | 37934-98-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)OCC(Cl)Cl |
| InChIKey | PQOOXAVSUMDZHX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2-Dichloroethyl benzoate (CAS 37934-98-8), with molecular formula C9H8Cl2O2 and molecular weight 217.99 g/mol. IUPAC: 2,2-dichloroethyl benzoate.
Chemical Property Profile of 2,2-Dichloroethyl benzoate
Property Insights of 2,2-Dichloroethyl benzoate
The XLogP value of 3.6 indicates that 2,2-Dichloroethyl benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 2,2-Dichloroethyl benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-Dichloroethyl benzoate 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
Frequently Asked Questions
What is the CAS number of 2,2-Dichloroethyl benzoate?
The CAS number of 2,2-Dichloroethyl benzoate is 37934-98-8.
What is the molecular formula of 2,2-Dichloroethyl benzoate?
The molecular formula of 2,2-Dichloroethyl benzoate is C9H8Cl2O2.
What is the molecular weight of 2,2-Dichloroethyl benzoate?
The molecular weight of 2,2-Dichloroethyl benzoate is 217.99 g/mol.
Where can I buy 2,2-Dichloroethyl benzoate?
You can request a quote for 2,2-Dichloroethyl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-Dichloroethyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Dichloroethyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.