三氯乙酸
TL;DR: 三氯乙酸 (CAS 76-03-9) is a chemical compound with molecular formula C2HCl3O2 and molecular weight 161.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
三氯乙酸
2,2,2-trichloroacetic acid
Also Known As: TRICHLOROACETIC ACID, Aceto-caustin, Trichloroacetate, Konesta, Trichloracetic acid
| Molecular Formula | C2HCl3O2 |
|---|---|
| Molecular Weight | 161.90 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 161.9042 |
| Heavy Atoms | 7 |
| Complexity | 83.0 |
| Melting Point | 135 to 57.8 °C |
| Boiling Point | 385 to 197.2 °C at 760 mmHg |
| Density | 1.62 at 25.0 °C |
| Solubility | greater than or equal to 100 mg/mL at 72 °F (NTP, 1992) |
| Flash Point | greater than 110.0 °C |
| Vapor Pressure | 1 mmHg at 51.0 °C ; 5 mmHg at 76.0 °C |
| Refractive Index | Clear liquid; odor resembling menthol. Specific gravity = 1.373 at 20 °C/4 °C. BP 169 °C. = 1.4507 at 20 °C. Miscible with alcohol, ether. /Ethyl ester/ |
Chemical Identifiers
| CAS Number | 76-03-9 |
|---|---|
| SMILES | C(=O)(C(Cl)(Cl)Cl)O |
| InChIKey | YNJBWRMUSHSURL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
三氯乙酸 (CAS 76-03-9), with molecular formula C2HCl3O2 and molecular weight 161.90 g/mol. IUPAC: 2,2,2-trichloroacetic acid.
Chemical Property Profile of 三氯乙酸
Property Insights of 三氯乙酸
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 三氯乙酸. With a topological polar surface area (TPSA) of 37.3 Ų, 三氯乙酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 三氯乙酸 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 三氯乙酸?
The CAS number of 三氯乙酸 is 76-03-9.
What is the molecular formula of 三氯乙酸?
The molecular formula of 三氯乙酸 is C2HCl3O2.
What is the molecular weight of 三氯乙酸?
The molecular weight of 三氯乙酸 is 161.90 g/mol.
Where can I buy 三氯乙酸?
You can request a quote for 三氯乙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 三氯乙酸?
Yes, KEHONG BIO provides custom synthesis services for 三氯乙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.