Butylchloral hydrate
TL;DR: Butylchloral hydrate (CAS 76-40-4) is a chemical compound with molecular formula C4H7Cl3O2 and molecular weight 191.95116 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,2,3-trichlorobutane-1,1-diol
Also Known As: BUTYLCHLORAL HYDRATE, 2,2,3-Trichlorobutane-1,1-diol, Butyrchloral hydrate, 2,2,3-TRICHLORO-1,1-BUTANEDIOL, 1,1-Butanediol, 2,2,3-trichloro-
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C4H7Cl3O2 |
| Molecular Weight | 191.95116 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 191.95116 Da |
| Heavy Atoms | 9 |
| Complexity | 93.0 |
| SMILES | CC(C(C(O)O)(Cl)Cl)Cl |
| InChIKey | QVYLNOUOIXTUGA-UHFFFAOYSA-N |
Product Description
Applications: Butylchloral hydrate is used in textile processing, dyeing, and finishing operations, as well as dye and pigment synthesis and coloration 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).
Butylchloral hydrate is a textile auxiliary chemical identified by CAS number 76-40-4 and the molecular formula C4H7Cl3O2 and a molecular weight of 191.95 g/mol. Synonyms include BUTYLCHLORAL HYDRATE and 2,2,3-Trichlorobutane-1,1-diol.
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 Butylchloral hydrate
Property Insights of Butylchloral hydrate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butylchloral hydrate. With a topological polar surface area (TPSA) of 40.5 Ų, Butylchloral hydrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butylchloral hydrate has 2 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 Butylchloral hydrate?
The CAS number of Butylchloral hydrate is 76-40-4.
What is the molecular formula of Butylchloral hydrate?
The molecular formula of Butylchloral hydrate is C4H7Cl3O2.
What is the molecular weight of Butylchloral hydrate?
The molecular weight of Butylchloral hydrate is 191.95116 g/mol.
What are the applications of Butylchloral hydrate?
Butylchloral hydrate is used in textile processing, dyeing, and finishing operations, as well as dye and pigment synthesis and coloration chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project...
Where can I buy Butylchloral hydrate?
You can request a quote for Butylchloral hydrate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Butylchloral hydrate?
Yes, CoreyChem provides custom synthesis services for Butylchloral hydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.