Propyl chloroformate
TL;DR: Propyl chloroformate (CAS 109-61-5) is a chemical compound with molecular formula C4H7ClO2 and molecular weight 122.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propyl carbonochloridate
Also Known As: Propyl chloroformate, Propyl chlorocarbonate, propyl carbonochloridate, N-PROPYL CHLOROFORMATE, propylchloroformate
| Molecular Formula | C4H7ClO2 |
|---|---|
| Molecular Weight | 122.01 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 122.01346 |
| Heavy Atoms | 7 |
| Complexity | 62.0 |
| Boiling Point | 237 to 116.1 °C at 760 mmHg |
| Density | 1.09 at 20.0 °C |
| Solubility | MISCIBLE WITH BENZENE, CHLOROFORM, ETHER |
| Flash Point | -50.0 °C |
| Vapor Pressure | 20.0 [mmHg] |
| Refractive Index | 1.4045 @ 20 °C |
Chemical Identifiers
| CAS Number | 109-61-5 |
|---|---|
| SMILES | CCCOC(=O)Cl |
| InChIKey | QQKDTTWZXHEGAQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propyl chloroformate (CAS 109-61-5), with molecular formula C4H7ClO2 and molecular weight 122.01 g/mol. IUPAC: propyl carbonochloridate.
Chemical Property Profile of Propyl chloroformate
Property Insights of Propyl chloroformate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propyl chloroformate. With a topological polar surface area (TPSA) of 26.3 Ų, Propyl chloroformate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propyl 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 Propyl chloroformate?
The CAS number of Propyl chloroformate is 109-61-5.
What is the molecular formula of Propyl chloroformate?
The molecular formula of Propyl chloroformate is C4H7ClO2.
What is the molecular weight of Propyl chloroformate?
The molecular weight of Propyl chloroformate is 122.01 g/mol.
Where can I buy Propyl chloroformate?
You can request a quote for Propyl chloroformate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propyl chloroformate?
Yes, KEHONG BIO provides custom synthesis services for Propyl chloroformate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.