Chloranil
TL;DR: Chloranil (CAS 118-75-2) is a chemical compound with molecular formula C6Cl4O2 and molecular weight 243.86523 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,3,5,6-tetrachlorocyclohexa-2,5-diene-1,4-dione
Also Known As: Chloranil, p-Chloranil, Spergon, Tetrachloro-p-benzoquinone, Vulklor
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6Cl4O2 |
| Molecular Weight | 243.86523 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 245.86229 Da |
| Heavy Atoms | 12 |
| Complexity | 277.0 |
| Melting Point | 552 °F (decomposes) (NTP, 1992) |
| Boiling Point | Sublimes (NTP, 1992) |
| Density | 1.97 (NTP, 1992) - Denser than water; will sink |
| Vapor Pressure | 0 mmHg at 68 °F approximately (NTP, 1992) |
| Solubility | less than 1 mg/mL at 70 °F (NTP, 1992) |
| SMILES | C1(=C(C(=O)C(=C(C1=O)Cl)Cl)Cl)Cl |
| InChIKey | UGNWTBMOAKPKBL-UHFFFAOYSA-N |
Product Description
Applications: Chloranil is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as imaging, photographic, and photosensitive formulations. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Chloranil (CAS 118-75-2) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Chloranil is a heterocyclic building block identified by CAS number 118-75-2 and the molecular formula C6Cl4O2 and a molecular weight of 243.87 g/mol. Physically, the compound has a density of 1.97 (NTP, 1992) - Denser than water; will sink g/cm³, a solubility: less than 1 mg/mL at 70 °F (NTP, 1992). It is also known as Chloranil and p-Chloranil.
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 Chloranil
Property Insights of Chloranil
The XLogP value of 3.4 indicates that Chloranil is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.1 Ų, Chloranil exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Chloranil 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 Chloranil?
The CAS number of Chloranil is 118-75-2.
What is the molecular formula of Chloranil?
The molecular formula of Chloranil is C6Cl4O2.
What is the molecular weight of Chloranil?
The molecular weight of Chloranil is 243.86523 g/mol.
What are the applications of Chloranil?
Chloranil is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as imaging, photographic, and photosensitive formulations. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Chloranil (CAS 118-75-2) with custom...
Where can I buy Chloranil?
You can request a quote for Chloranil directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Chloranil?
Yes, CoreyChem provides custom synthesis services for Chloranil and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.