三溴乙酸
TL;DR: 三溴乙酸 (CAS 75-96-7) is a chemical compound with molecular formula C2HBr3O2 and molecular weight 293.75 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
三溴乙酸
2,2,2-tribromoacetic acid
Also Known As: Tribromoacetic acid, 2,2,2-tribromoacetic acid, Acetic acid, tribromo-, Tribromacetic acid, Tribromoaceticacid
| Molecular Formula | C2HBr3O2 |
|---|---|
| Molecular Weight | 293.75 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 295.7506 |
| Heavy Atoms | 7 |
| Complexity | 83.0 |
| Melting Point | 129-135 °C |
| Boiling Point | 245 °C (decomposition) |
| Solubility | Soluble in alcohol, ether; slightly soluble in petroleum ether. |
| Vapor Pressure | 0.00028 [mmHg] |
Chemical Identifiers
| CAS Number | 75-96-7 |
|---|---|
| SMILES | C(=O)(C(Br)(Br)Br)O |
| InChIKey | QIONYIKHPASLHO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
三溴乙酸 (CAS 75-96-7), with molecular formula C2HBr3O2 and molecular weight 293.75 g/mol. IUPAC: 2,2,2-tribromoacetic acid.
Chemical Property Profile of 三溴乙酸
Property Insights of 三溴乙酸
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 三溴乙酸. With a topological polar surface area (TPSA) of 37.3 Ų, 三溴乙酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 三溴乙酸 has 1 hydrogen bond donor(s) and 2 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 三溴乙酸?
The CAS number of 三溴乙酸 is 75-96-7.
What is the molecular formula of 三溴乙酸?
The molecular formula of 三溴乙酸 is C2HBr3O2.
What is the molecular weight of 三溴乙酸?
The molecular weight of 三溴乙酸 is 293.75 g/mol.
Where can I buy 三溴乙酸?
You can request a quote for 三溴乙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 三溴乙酸?
Yes, KEHONG BIO provides custom synthesis services for 三溴乙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.