氯甲酸甲酯
TL;DR: 氯甲酸甲酯 (CAS 79-22-1) is a chemical compound with molecular formula C2H3ClO2 and molecular weight 93.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
氯甲酸甲酯
methyl carbonochloridate
Also Known As: METHYL CHLOROFORMATE, Methyl chlorocarbonate, methyl carbonochloridate, Metilcloroformiato, K-Stoff
| Molecular Formula | C2H3ClO2 |
|---|---|
| Molecular Weight | 93.98 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 93.982155 |
| Heavy Atoms | 5 |
| Complexity | 42.0 |
| Melting Point | less than -81.1 °C |
| Boiling Point | 71.1 °C at 760 mmHg |
| Density | 1.223 at 20.0 °C |
| Solubility | SOL IN CHLOROFORM, BENZENE, IN ALL PROPORTIONS IN ALCOHOL, ETHER |
| Flash Point | 12.2 °C |
| Vapor Pressure | 159.0 [mmHg] |
| Refractive Index | 1.3868 @ 20 °C |
Chemical Identifiers
| CAS Number | 79-22-1 |
|---|---|
| SMILES | COC(=O)Cl |
| InChIKey | XMJHPCRAQCTCFT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
氯甲酸甲酯 (CAS 79-22-1), with molecular formula C2H3ClO2 and molecular weight 93.98 g/mol. IUPAC: methyl carbonochloridate.
Chemical Property Profile of 氯甲酸甲酯
Property Insights of 氯甲酸甲酯
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 氯甲酸甲酯. With a topological polar surface area (TPSA) of 26.3 Ų, 氯甲酸甲酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 氯甲酸甲酯 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 氯甲酸甲酯?
The CAS number of 氯甲酸甲酯 is 79-22-1.
What is the molecular formula of 氯甲酸甲酯?
The molecular formula of 氯甲酸甲酯 is C2H3ClO2.
What is the molecular weight of 氯甲酸甲酯?
The molecular weight of 氯甲酸甲酯 is 93.98 g/mol.
Where can I buy 氯甲酸甲酯?
You can request a quote for 氯甲酸甲酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 氯甲酸甲酯?
Yes, KEHONG BIO provides custom synthesis services for 氯甲酸甲酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.