Pentachloro-3-butenoic acid chloride
TL;DR: Pentachloro-3-butenoic acid chloride (CAS 680-52-4) is a chemical compound with molecular formula C4Cl6O and molecular weight 273.80804 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,2,3,4,4-pentachlorobut-3-enoyl chloride
Also Known As: Pentachloro-3-butenoyl chloride, C4Cl6O, PC-3-BAC, Pentachloro-3-butenoic acid chloride, Perchloro-3-butenoic acid chloride
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C4Cl6O |
| Molecular Weight | 273.80804 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 275.80508 Da |
| Heavy Atoms | 11 |
| Complexity | 203.0 |
| SMILES | C(=C(Cl)Cl)(C(C(=O)Cl)(Cl)Cl)Cl |
| InChIKey | YWBSILUOCLPVTI-UHFFFAOYSA-N |
Product Description
Applications: Pentachloro-3-butenoic acid chloride is used in complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Pentachloro-3-butenoic acid chloride is a organic building block identified by CAS number 680-52-4 and the molecular formula C4Cl6O and a molecular weight of 273.81 g/mol. Synonyms include Pentachloro-3-butenoyl chloride and C4Cl6O.
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 Pentachloro-3-butenoic acid chloride
Property Insights of Pentachloro-3-butenoic acid chloride
The XLogP value of 4.3 indicates that Pentachloro-3-butenoic acid chloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, Pentachloro-3-butenoic acid chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentachloro-3-butenoic acid chloride has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Pentachloro-3-butenoic acid chloride?
The CAS number of Pentachloro-3-butenoic acid chloride is 680-52-4.
What is the molecular formula of Pentachloro-3-butenoic acid chloride?
The molecular formula of Pentachloro-3-butenoic acid chloride is C4Cl6O.
What is the molecular weight of Pentachloro-3-butenoic acid chloride?
The molecular weight of Pentachloro-3-butenoic acid chloride is 273.80804 g/mol.
What are the applications of Pentachloro-3-butenoic acid chloride?
Pentachloro-3-butenoic acid chloride is used in complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with...
Where can I buy Pentachloro-3-butenoic acid chloride?
You can request a quote for Pentachloro-3-butenoic acid chloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Pentachloro-3-butenoic acid chloride?
Yes, CoreyChem provides custom synthesis services for Pentachloro-3-butenoic acid chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.