Chlorobutanol
TL;DR: Chlorobutanol (CAS 57-15-8) is a chemical compound with molecular formula C4H7Cl3O and molecular weight 175.95625 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,1,1-trichloro-2-methylpropan-2-ol
Also Known As: Chlorobutanol, Chlorbutol, Chloreton, Acetonchloroform, Acetochlorone
Application Areas
Top 5 of 20 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C4H7Cl3O |
| Molecular Weight | 175.95625 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 175.95625 Da |
| Heavy Atoms | 8 |
| Complexity | 83.0 |
| Melting Point | 99 |
| Boiling Point | 167 |
| Vapor Pressure | 0.83 [mmHg] |
| Refractive Index | INDEX OF REFRACTION: 1.4339 @ 25 °C/D |
| Solubility | INSOL IN COLD WATER, SOL IN HOT WATER |
| SMILES | CC(C)(C(Cl)(Cl)Cl)O |
| InChIKey | OSASVXMJTNOKOY-UHFFFAOYSA-N |
Product Description
Applications: Chlorobutanol is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. 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).
A pharmaceutical intermediate supplied by CoreyChem, Chlorobutanol (CAS 57-15-8) has the molecular formula C4H7Cl3O and a molecular weight of 175.96 g/mol. Reported properties include a solubility: INSOL IN COLD WATER, SOL IN HOT WATER. Synonyms include Chlorobutanol and Chlorbutol.
Custom synthesis (mg to ton scale), HPLC/NMR/MS analytical support, and complete COA/MSDS documentation are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Chlorobutanol
Property Insights of Chlorobutanol
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Chlorobutanol. With a topological polar surface area (TPSA) of 20.2 Ų, Chlorobutanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Chlorobutanol 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 Chlorobutanol?
The CAS number of Chlorobutanol is 57-15-8.
What is the molecular formula of Chlorobutanol?
The molecular formula of Chlorobutanol is C4H7Cl3O.
What is the molecular weight of Chlorobutanol?
The molecular weight of Chlorobutanol is 175.95625 g/mol.
What are the applications of Chlorobutanol?
Chlorobutanol is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy Chlorobutanol?
You can request a quote for Chlorobutanol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Chlorobutanol?
Yes, CoreyChem provides custom synthesis services for Chlorobutanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.