2-Chloroethyl chloroformate
TL;DR: 2-Chloroethyl chloroformate (CAS 627-11-2) is a chemical compound with molecular formula C3H4Cl2O2 and molecular weight 141.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloroethyl carbonochloridate
Also Known As: 2-Chloroethyl chloroformate, 2-chloroethyl carbonochloridate, CHLOROETHYL CHLOROFORMATE, chloroethylchloroformate, 2-chloroethylchloroformate
| Molecular Formula | C3H4Cl2O2 |
|---|---|
| Molecular Weight | 141.96 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 141.95883 |
| Heavy Atoms | 7 |
| Complexity | 64.0 |
| Boiling Point | 155.7 °C at 760 mmHg |
| Density | 1.3847 |
| Solubility | Insol in cold water |
| Vapor Pressure | 13 mm Hg at 48-49 °C |
| Refractive Index | 1.4483 @ 20 °C |
Chemical Identifiers
| CAS Number | 627-11-2 |
|---|---|
| SMILES | C(CCl)OC(=O)Cl |
| InChIKey | SVDDJQGVOFZBNX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Chloroethyl chloroformate (CAS 627-11-2), with molecular formula C3H4Cl2O2 and molecular weight 141.96 g/mol. IUPAC: 2-chloroethyl carbonochloridate.
Chemical Property Profile of 2-Chloroethyl chloroformate
Property Insights of 2-Chloroethyl chloroformate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloroethyl chloroformate. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Chloroethyl chloroformate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloroethyl chloroformate 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-Chloroethyl chloroformate?
The CAS number of 2-Chloroethyl chloroformate is 627-11-2.
What is the molecular formula of 2-Chloroethyl chloroformate?
The molecular formula of 2-Chloroethyl chloroformate is C3H4Cl2O2.
What is the molecular weight of 2-Chloroethyl chloroformate?
The molecular weight of 2-Chloroethyl chloroformate is 141.96 g/mol.
Where can I buy 2-Chloroethyl chloroformate?
You can request a quote for 2-Chloroethyl chloroformate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloroethyl chloroformate?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloroethyl chloroformate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.