Benzyl chloroformate
TL;DR: Benzyl chloroformate (CAS 501-53-1) is a chemical compound with molecular formula C8H7ClO2 and molecular weight 170.01346 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
benzyl carbonochloridate
Also Known As: BENZYL CHLOROFORMATE, Benzyl carbonochloridate, Carbobenzoxy chloride, Cbz chloride, Benzyl chlorocarbonate
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H7ClO2 |
| Molecular Weight | 170.01346 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 170.01346 Da |
| Heavy Atoms | 11 |
| Complexity | 130.0 |
| Melting Point | 0 °C |
| Boiling Point | 306 °F at 760 mmHg (decomposes) (USCG, 1999) |
| Density | 1.22 at 68 °F (USCG, 1999) - Denser than water; will sink |
| Flash Point | 227 °F Vigorous decomposition occurs at these temperatures; thus these values are anomalous due to the effect of the decomp. products (benzyl chloride and CO2). (USCG, 1999) |
| Vapor Pressure | 7 mm Hg @ 85-87 °C |
| Refractive Index | INDEX OF REFRACTION: 1.5175 @ 20 °C/D |
| Solubility | SOL IN ETHER, ACETONE, BENZENE |
| SMILES | C1=CC=C(C=C1)COC(=O)Cl |
| InChIKey | HSDAJNMJOMSNEV-UHFFFAOYSA-N |
Product Description
Applications: Benzyl 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 Benzyl chloroformate (CAS 501-53-1) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A heterocyclic building block supplied by CoreyChem, Benzyl chloroformate (CAS 501-53-1) has the molecular formula C8H7ClO2 and a molecular weight of 170.01 g/mol. Reported properties include a density of 1.22 at 68 °F (USCG, 1999) - Denser than water; will sink g/cm³, a solubility: SOL IN ETHER, ACETONE, BENZENE. It is also known as BENZYL CHLOROFORMATE and Benzyl carbonochloridate.
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 Benzyl chloroformate
Property Insights of Benzyl chloroformate
The XLogP value of 3.0 indicates that Benzyl chloroformate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Benzyl chloroformate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl 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 Benzyl chloroformate?
The CAS number of Benzyl chloroformate is 501-53-1.
What is the molecular formula of Benzyl chloroformate?
The molecular formula of Benzyl chloroformate is C8H7ClO2.
What is the molecular weight of Benzyl chloroformate?
The molecular weight of Benzyl chloroformate is 170.01346 g/mol.
What are the applications of Benzyl chloroformate?
Benzyl 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 Benzyl chloroformate (CAS...
Where can I buy Benzyl chloroformate?
You can request a quote for Benzyl chloroformate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzyl chloroformate?
Yes, CoreyChem provides custom synthesis services for Benzyl chloroformate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.
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