磷酸三(2-氯乙基)酯
TL;DR: 磷酸三(2-氯乙基)酯 (CAS 115-96-8) is a chemical compound with molecular formula C6H12Cl3O4P and molecular weight 283.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
磷酸三(2-氯乙基)酯
tris(2-chloroethyl) phosphate
Also Known As: Tris(2-chloroethyl) phosphate, Tris(2-chloroethyl)phosphate, Celluflex, Disflamoll TCA, Celluflex CEF
| Molecular Formula | C6H12Cl3O4P |
|---|---|
| Molecular Weight | 283.95 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 283.9539 |
| Heavy Atoms | 14 |
| Complexity | 152.0 |
| Melting Point | less than -60.0 °C |
| Boiling Point | 330.0 °C at 760 mmHg |
| Density | 1.425 at 20.0 °C |
| Solubility | 1 to 5 mg/mL at 68 °F (NTP, 1992) |
| Flash Point | 232.2 °C |
| Vapor Pressure | 0.5 mmHg at 145.0 °C |
| Refractive Index | 1.4721 at 20 °C |
Chemical Identifiers
| CAS Number | 115-96-8 |
|---|---|
| SMILES | C(CCl)OP(=O)(OCCCl)OCCCl |
| InChIKey | HQUQLFOMPYWACS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
磷酸三(2-氯乙基)酯 (CAS 115-96-8), with molecular formula C6H12Cl3O4P and molecular weight 283.95 g/mol. IUPAC: tris(2-chloroethyl) phosphate.
Chemical Property Profile of 磷酸三(2-氯乙基)酯
Property Insights of 磷酸三(2-氯乙基)酯
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 磷酸三(2-氯乙基)酯. With a topological polar surface area (TPSA) of 44.8 Ų, 磷酸三(2-氯乙基)酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 磷酸三(2-氯乙基)酯 has 0 hydrogen bond donor(s) and 4 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 磷酸三(2-氯乙基)酯?
The CAS number of 磷酸三(2-氯乙基)酯 is 115-96-8.
What is the molecular formula of 磷酸三(2-氯乙基)酯?
The molecular formula of 磷酸三(2-氯乙基)酯 is C6H12Cl3O4P.
What is the molecular weight of 磷酸三(2-氯乙基)酯?
The molecular weight of 磷酸三(2-氯乙基)酯 is 283.95 g/mol.
Where can I buy 磷酸三(2-氯乙基)酯?
You can request a quote for 磷酸三(2-氯乙基)酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 磷酸三(2-氯乙基)酯?
Yes, KEHONG BIO provides custom synthesis services for 磷酸三(2-氯乙基)酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.