Tributyl borate
TL;DR: Tributyl borate (CAS 688-74-4) is a chemical compound with molecular formula C12H27BO3 and molecular weight 230.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tributyl borate
Also Known As: TRIBUTYL BORATE, Tributoxyborane, Tri-n-butyl borate, Tributoxyboron, n-Butyl borate
| Molecular Formula | C12H27BO3 |
|---|---|
| Molecular Weight | 230.21 g/mol |
| LogP | 3.42 |
| Topological Polar Surface Area | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 12 |
| Exact Mass | 230.20532 |
| Heavy Atoms | 16 |
| Complexity | 110.0 |
| Melting Point | less than -70.0 °C |
| Boiling Point | 446 to 231.1 °C at 760 mmHg |
| Density | 0.8567 at 20.0 °C - Less dense than water; will float |
| Solubility | Decomposes (NTP, 1992) |
| Flash Point | 93.3 °C (open cup) |
| Vapor Pressure | 0.52 [mmHg] |
| Refractive Index | 1.4106 at 18 °C |
Chemical Identifiers
| CAS Number | 688-74-4 |
|---|---|
| SMILES | B(OCCCC)(OCCCC)OCCCC |
| InChIKey | LGQXXHMEBUOXRP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Tributyl borate (CAS 688-74-4), with molecular formula C12H27BO3 and molecular weight 230.21 g/mol. IUPAC: tributyl borate.
Chemical Property Profile of Tributyl borate
Property Insights of Tributyl borate
The XLogP value of 3.42 indicates that Tributyl borate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.7 Ų, Tributyl borate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tributyl borate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Tributyl borate?
The CAS number of Tributyl borate is 688-74-4.
What is the molecular formula of Tributyl borate?
The molecular formula of Tributyl borate is C12H27BO3.
What is the molecular weight of Tributyl borate?
The molecular weight of Tributyl borate is 230.21 g/mol.
Where can I buy Tributyl borate?
You can request a quote for Tributyl borate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tributyl borate?
Yes, KEHONG BIO provides custom synthesis services for Tributyl borate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.