Propyl chloroformate
TL;DR: Propyl chloroformate (CAS 109-61-5) is a chemical compound with molecular formula C4H7ClO2 and molecular weight 122.01346 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
propyl carbonochloridate
Also Known As: Propyl chloroformate, Propyl chlorocarbonate, propyl carbonochloridate, N-PROPYL CHLOROFORMATE, propylchloroformate
Application Areas
Top 5 of 18 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C4H7ClO2 |
| Molecular Weight | 122.01346 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 122.01346 Da |
| Heavy Atoms | 7 |
| Complexity | 62.0 |
| Boiling Point | 237 to 241 °F at 760 mmHg (EPA, 1998) |
| Density | 1.09 at 68 °F (EPA, 1998) - Denser than water; will sink |
| Flash Point | -58 °F (EPA, 1998) |
| Vapor Pressure | 20.0 [mmHg] |
| Refractive Index | INDEX OF REFRACTION: 1.4045 @ 20 °C |
| Solubility | MISCIBLE WITH BENZENE, CHLOROFORM, ETHER |
| SMILES | CCCOC(=O)Cl |
| InChIKey | QQKDTTWZXHEGAQ-UHFFFAOYSA-N |
Product Description
Applications: Propyl chloroformate 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. CoreyChem supplies Propyl chloroformate (CAS 109-61-5) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Propyl chloroformate (CAS 109-61-5) is a heterocyclic building block with the molecular formula C4H7ClO2 and a molecular weight of 122.01 g/mol. Key physical properties include a density of 1.09 at 68 °F (EPA, 1998) - Denser than water; will sink g/cm³, a solubility: MISCIBLE WITH BENZENE, CHLOROFORM, ETHER. It is also known as Propyl chloroformate and Propyl chlorocarbonate.
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 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
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 122.01346 g/mol.
What are the applications of Propyl chloroformate?
Propyl chloroformate 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. CoreyChem supplies Propyl chloroformate (CAS...
Where can I buy Propyl chloroformate?
You can request a quote for Propyl chloroformate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Propyl chloroformate?
Yes, CoreyChem provides custom synthesis services for Propyl chloroformate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.