Butyl chloroformate
TL;DR: Butyl chloroformate (CAS 592-34-7) is a chemical compound with molecular formula C5H9ClO2 and molecular weight 136.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl carbonochloridate
Also Known As: Butyl chloroformate, n-Butyl chloroformate, butyl carbonochloridate, Butyl chlorocarbonate, butylchloroformate
| Molecular Formula | C5H9ClO2 |
|---|---|
| Molecular Weight | 136.03 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 136.02911 |
| Heavy Atoms | 8 |
| Complexity | 72.0 |
| Boiling Point | 138.0 °C at 760 mmHg |
| Density | 1.0513 at 20.0 °C |
| Solubility | Solubility in water: reaction |
| Flash Point | 25.0 °C |
| Vapor Pressure | 5.4 [mmHg] |
Chemical Identifiers
| CAS Number | 592-34-7 |
|---|---|
| SMILES | CCCCOC(=O)Cl |
| InChIKey | NRDQFWXVTPZZAZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butyl chloroformate (CAS 592-34-7), with molecular formula C5H9ClO2 and molecular weight 136.03 g/mol. IUPAC: butyl carbonochloridate.
Chemical Property Profile of Butyl chloroformate
Property Insights of Butyl chloroformate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyl chloroformate. With a topological polar surface area (TPSA) of 26.3 Ų, Butyl chloroformate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyl 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 Butyl chloroformate?
The CAS number of Butyl chloroformate is 592-34-7.
What is the molecular formula of Butyl chloroformate?
The molecular formula of Butyl chloroformate is C5H9ClO2.
What is the molecular weight of Butyl chloroformate?
The molecular weight of Butyl chloroformate is 136.03 g/mol.
Where can I buy Butyl chloroformate?
You can request a quote for Butyl chloroformate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl chloroformate?
Yes, KEHONG BIO provides custom synthesis services for Butyl chloroformate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.