4-tert-Butyl-2-chlorophenol
TL;DR: 4-tert-Butyl-2-chlorophenol (CAS 98-28-2) is a chemical compound with molecular formula C10H13ClO and molecular weight 184.06549 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-tert-butyl-2-chlorophenol
Also Known As: 4-tert-Butyl-2-chlorophenol, 2-Chloro-4-tert-butylphenol, 4-(tert-butyl)-2-chlorophenol, crufomate metabolite, Phenol, 4-tert-butyl-2-chloro-
Application Areas
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H13ClO |
| Molecular Weight | 184.06549 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 184.06549 Da |
| Heavy Atoms | 12 |
| Complexity | 150.0 |
| SMILES | CC(C)(C)C1=CC(=C(C=C1)O)Cl |
| InChIKey | PRLINSMUYJWPBL-UHFFFAOYSA-N |
Product Description
Applications: 4-tert-Butyl-2-chlorophenol is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 4-tert-Butyl-2-chlorophenol (CAS 98-28-2) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
4-tert-Butyl-2-chlorophenol is a heterocyclic building block identified by CAS number 98-28-2 and the molecular formula C10H13ClO and a molecular weight of 184.07 g/mol. It is also known as 4-tert-Butyl-2-chlorophenol and 2-Chloro-4-tert-butylphenol.
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 4-tert-Butyl-2-chlorophenol
Property Insights of 4-tert-Butyl-2-chlorophenol
The XLogP value of 3.9 indicates that 4-tert-Butyl-2-chlorophenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, 4-tert-Butyl-2-chlorophenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-tert-Butyl-2-chlorophenol has 1 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 4-tert-Butyl-2-chlorophenol?
The CAS number of 4-tert-Butyl-2-chlorophenol is 98-28-2.
What is the molecular formula of 4-tert-Butyl-2-chlorophenol?
The molecular formula of 4-tert-Butyl-2-chlorophenol is C10H13ClO.
What is the molecular weight of 4-tert-Butyl-2-chlorophenol?
The molecular weight of 4-tert-Butyl-2-chlorophenol is 184.06549 g/mol.
What are the applications of 4-tert-Butyl-2-chlorophenol?
4-tert-Butyl-2-chlorophenol is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies...
Where can I buy 4-tert-Butyl-2-chlorophenol?
You can request a quote for 4-tert-Butyl-2-chlorophenol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-tert-Butyl-2-chlorophenol?
Yes, CoreyChem provides custom synthesis services for 4-tert-Butyl-2-chlorophenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.