(Trichloromethyl)phosphonic acid
TL;DR: (Trichloromethyl)phosphonic acid (CAS 5994-41-2) is a chemical compound with molecular formula CH2Cl3O3P and molecular weight 197.88 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trichloromethylphosphonic acid
Also Known As: (Trichloromethyl)phosphonic acid, trichloromethylphosphonic acid, PHOSPHONICACID, CH2Cl3O3P, C-H2-Cl3-O3-P
| Molecular Formula | CH2Cl3O3P |
|---|---|
| Molecular Weight | 197.88 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 197.8807 |
| Heavy Atoms | 8 |
| Complexity | 121.0 |
Chemical Identifiers
| CAS Number | 5994-41-2 |
|---|---|
| SMILES | C(P(=O)(O)O)(Cl)(Cl)Cl |
| InChIKey | NWEPJDPAVFDLBY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(Trichloromethyl)phosphonic acid (CAS 5994-41-2), with molecular formula CH2Cl3O3P and molecular weight 197.88 g/mol. IUPAC: trichloromethylphosphonic acid.
Chemical Property Profile of (Trichloromethyl)phosphonic acid
Property Insights of (Trichloromethyl)phosphonic acid
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Trichloromethyl)phosphonic acid. With a topological polar surface area (TPSA) of 57.5 Ų, (Trichloromethyl)phosphonic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (Trichloromethyl)phosphonic acid has 2 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 (Trichloromethyl)phosphonic acid?
The CAS number of (Trichloromethyl)phosphonic acid is 5994-41-2.
What is the molecular formula of (Trichloromethyl)phosphonic acid?
The molecular formula of (Trichloromethyl)phosphonic acid is CH2Cl3O3P.
What is the molecular weight of (Trichloromethyl)phosphonic acid?
The molecular weight of (Trichloromethyl)phosphonic acid is 197.88 g/mol.
Where can I buy (Trichloromethyl)phosphonic acid?
You can request a quote for (Trichloromethyl)phosphonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Trichloromethyl)phosphonic acid?
Yes, KEHONG BIO provides custom synthesis services for (Trichloromethyl)phosphonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.