Phosphoric acid triallyl ester
Product Information
Molecular Formula
C9H15O4P
Molecular Weight
218.18
Description
Phosphoric acid triallyl ester, commonly known as PATE, is an indispensable chemical entity extensively employed in the biomedical sector due to its multifaceted functionality. Being a pivotal constituent in the synthesis of pharmaceutical compounds, particularly those combating cancer and microbial infections, PATE exhibits remarkable efficacy in disease treatment. Moreover, owing to its diverse applicability, ranging from targeted therapy to tumorous growth inhibition, this compound serves as an invaluable asset in the realm of intricate biomedical investigations and the relentless pursuit of novel drug innovations.
Synonyms
AURORA KA-1639; TRIALLYL PHOSPHATE; PHOSPHORIC ACID TRIALLYL ESTER; allylphosphate; Phosphoricacid,tri-2-propenylester; triallylfosfat
IUPAC Name
tris(prop-2-enyl) phosphate
SMILES
C=CCOP(=O)(OCC=C)OCC=C
InChI
InChI=1S/C9H15O4P/c1-4-7-11-14(10,12-8-5-2)13-9-6-3/h4-6H,1-3,7-9H2
InChI Key
XHGIFBQQEGRTPB-UHFFFAOYSA-N
Boiling Point
251.7°C at 760mmHg
Purity
N/A
Density
1,08 g/cm3
Solubility
Water solubility = >1 g/L
Appearance
Colorless to Light yellow to Light orange clear liquid
Application
Used as a flame retardant and plasticizer for polymers and fabrics.
Storage
Store under inert gas
Refractive Index
1.45
Vapor Pressure
0.00541 [mmHg]
Computed Properties
XLogP3
1.5
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
9
Exact Mass
218.07079595 g/mol
Monoisotopic Mass
218.07079595 g/mol
Topological Polar Surface Area
44.8Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
199
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| CN-114094109-A | Lithium ion battery | 2022-01-19 |
| CN-114068936-A | Lithium ion battery | 2022-01-14 |
| CN-114188608-A | Novel boron-containing sulfonate non-aqueous electrolyte additive and lithium ion battery prepared from same | 2021-12-23 |
| CN-114162056-A | Automobile interior ceiling and manufacturing method thereof | 2021-12-15 |
| CN-114142092-A | Electrolyte, electrochemical device and method for stabilizing positive electrode material | 2021-11-26 |
| CN-114122512-A | Solid electrolyte, method for preparing the same, and solid secondary battery comprising the same | 2021-11-11 |
| CN-114094102-A | Secondary battery | 2021-11-03 |
| CN-113851720-A | Non-aqueous electrolyte of lithium ion battery and application thereof | 2021-10-29 |
| CN-114024030-A | Non-aqueous electrolyte and battery containing same | 2021-10-21 |
| CN-113782834-A | Electrolyte containing phenyl sulfonate compound and lithium ion battery | 2021-10-14 |
