Phenyl phosphate
TL;DR: Phenyl phosphate (CAS 701-64-4) is a chemical compound with molecular formula C6H7O4P and molecular weight 174.0082 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
phenyl dihydrogen phosphate
Also Known As: Phenylphosphoric acid, Phenylphosphate, Phenyl dihydrogen phosphate, Phenyl phosphate, monophenylphosphate
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H7O4P |
| Molecular Weight | 174.0082 g/mol |
| XLogP | 0.3 |
| Topological Polar Surface Area (TPSA) | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 174.0082 Da |
| Heavy Atoms | 11 |
| Complexity | 158.0 |
| Density | 1.14 (Water = 1) |
| Solubility | In water, approximately 1% |
| SMILES | C1=CC=C(C=C1)OP(=O)(O)O |
| InChIKey | CMPQUABWPXYYSH-UHFFFAOYSA-N |
Product Description
Applications: Phenyl phosphate is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Phenyl phosphate is a heterocyclic building block identified by CAS number 701-64-4 and the molecular formula C6H7O4P and a molecular weight of 174.01 g/mol. Physically, the compound has a density of 1.14 (Water = 1) g/cm³, a solubility: In water, approximately 1%. Synonyms include Phenylphosphoric acid and Phenylphosphate.
Custom synthesis (mg to ton scale), HPLC/NMR/MS analytical support, and complete COA/MSDS documentation are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Phenyl phosphate
Property Insights of Phenyl phosphate
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenyl phosphate. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Phenyl phosphate. Following Lipinski's Rule of Five, Phenyl phosphate has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Phenyl phosphate?
The CAS number of Phenyl phosphate is 701-64-4.
What is the molecular formula of Phenyl phosphate?
The molecular formula of Phenyl phosphate is C6H7O4P.
What is the molecular weight of Phenyl phosphate?
The molecular weight of Phenyl phosphate is 174.0082 g/mol.
What are the applications of Phenyl phosphate?
Phenyl phosphate is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy Phenyl phosphate?
You can request a quote for Phenyl phosphate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Phenyl phosphate?
Yes, CoreyChem provides custom synthesis services for Phenyl phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.