Methyl chloroformate
TL;DR: Methyl chloroformate (CAS 79-22-1) is a chemical compound with molecular formula C2H3ClO2 and molecular weight 93.982155 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl carbonochloridate
Also Known As: METHYL CHLOROFORMATE, Methyl chlorocarbonate, methyl carbonochloridate, Metilcloroformiato, K-Stoff
Application Areas
Top 5 of 21 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C2H3ClO2 |
| Molecular Weight | 93.982155 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 93.982155 Da |
| Heavy Atoms | 5 |
| Complexity | 42.0 |
| Melting Point | less than -114 °F (USCG, 1999) |
| Boiling Point | 160 °F at 760 mmHg (EPA, 1998) |
| Density | 1.223 at 68 °F (EPA, 1998) - Denser than water; will sink |
| Flash Point | 54 °F (EPA, 1998) |
| Vapor Pressure | 159.0 [mmHg] |
| Refractive Index | INDEX OF REFRACTION: 1.3868 @ 20 °C/D |
| Solubility | SOL IN CHLOROFORM, BENZENE, IN ALL PROPORTIONS IN ALCOHOL, ETHER |
| SMILES | COC(=O)Cl |
| InChIKey | XMJHPCRAQCTCFT-UHFFFAOYSA-N |
Product Description
Applications: Methyl 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 Methyl chloroformate (CAS 79-22-1) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Methyl chloroformate is a heterocyclic building block identified by CAS number 79-22-1 and the molecular formula C2H3ClO2 and a molecular weight of 93.98 g/mol. Physically, the compound has a density of 1.223 at 68 °F (EPA, 1998) - Denser than water; will sink g/cm³, a solubility: SOL IN CHLOROFORM, BENZENE, IN ALL PROPORTIONS IN ALCOHOL, ETHER. It is also known as METHYL CHLOROFORMATE and Methyl 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 Methyl chloroformate
Property Insights of Methyl chloroformate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl chloroformate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl chloroformate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 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 Methyl chloroformate?
The CAS number of Methyl chloroformate is 79-22-1.
What is the molecular formula of Methyl chloroformate?
The molecular formula of Methyl chloroformate is C2H3ClO2.
What is the molecular weight of Methyl chloroformate?
The molecular weight of Methyl chloroformate is 93.982155 g/mol.
What are the applications of Methyl chloroformate?
Methyl 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 Methyl chloroformate (CAS 79-22-1)...
Where can I buy Methyl chloroformate?
You can request a quote for Methyl chloroformate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl chloroformate?
Yes, CoreyChem provides custom synthesis services for Methyl chloroformate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.