三氟甲磺酸
TL;DR: 三氟甲磺酸 (CAS 1493-13-6) is a chemical compound with molecular formula CHF3O3S and molecular weight 149.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
三氟甲磺酸
trifluoromethanesulfonic acid
Also Known As: Trifluoromethanesulfonic acid, Triflic acid, tfmsa, Perfluoromethanesulfonic acid, Trifluoromethanesulphonic acid
| Molecular Formula | CHF3O3S |
|---|---|
| Molecular Weight | 149.96 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 62.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 149.95985 |
| Heavy Atoms | 8 |
| Complexity | 158.0 |
| Melting Point | -40 °C |
| Boiling Point | 162 °C @760 [mm Hg] |
| Density | 1.696 @25 °C |
Chemical Identifiers
| CAS Number | 1493-13-6 |
|---|---|
| SMILES | C(F)(F)(F)S(=O)(=O)O |
| InChIKey | ITMCEJHCFYSIIV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
三氟甲磺酸 (CAS 1493-13-6), with molecular formula CHF3O3S and molecular weight 149.96 g/mol. IUPAC: trifluoromethanesulfonic acid.
Chemical Property Profile of 三氟甲磺酸
Property Insights of 三氟甲磺酸
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 三氟甲磺酸. The TPSA of 62.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 三氟甲磺酸. Following Lipinski's Rule of Five, 三氟甲磺酸 has 1 hydrogen bond donor(s) and 6 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 三氟甲磺酸?
The CAS number of 三氟甲磺酸 is 1493-13-6.
What is the molecular formula of 三氟甲磺酸?
The molecular formula of 三氟甲磺酸 is CHF3O3S.
What is the molecular weight of 三氟甲磺酸?
The molecular weight of 三氟甲磺酸 is 149.96 g/mol.
Where can I buy 三氟甲磺酸?
You can request a quote for 三氟甲磺酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 三氟甲磺酸?
Yes, KEHONG BIO provides custom synthesis services for 三氟甲磺酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.