Cas no 3820-69-7 (Phenol, 4-ethyl-,phosphate (3:1) (9CI))
3820-69-7 structure
Product Name:Phenol, 4-ethyl-,phosphate (3:1) (9CI)
CAS No:3820-69-7
MF:C24H27O4P
MW:410.442548036575
CID:308411
PubChem ID:77441
Update Time:2025-04-19
Phenol, 4-ethyl-,phosphate (3:1) (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Phenol, 4-ethyl-,phosphate (3:1) (9CI)
- tris(4-ethylphenyl) phosphate
- Phenol, 4-ethyl-, phosphate
- 3820-69-7
- Tris(4-ethylphenyl)phosphate
- ethylphenylphosphate
- EINECS 223-316-2
- NS00044877
- DTXSID60191584
- A2SJ2GA43M
- UNII-A2SJ2GA43M
- SCHEMBL1413702
-
- Inchi： 1S/C24H27O4P/c1-4-19-7-13-22(14-8-19)26-29(25,27-23-15-9-20(5-2)10-16-23)28-24-17-11-21(6-3)12-18-24/h7-18H,4-6H2,1-3H3
- InChI Key： BMPBPTNLNBRGOT-UHFFFAOYSA-N
- SMILES： P(=O)(OC1C=CC(=CC=1)CC)(OC1C=CC(=CC=1)CC)OC1C=CC(=CC=1)CC
Computed Properties
- Exact Mass: 410.16481
- Monoisotopic Mass: 410.16469634g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 29
- Rotatable Bond Count: 9
- Complexity: 430
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 6.4
- Topological Polar Surface Area: 44.8?2
Experimental Properties
- PSA: 44.76
Phenol, 4-ethyl-,phosphate (3:1) (9CI) Related Literature
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M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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4. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Doug Ogrin,Laura H. van Poppel,Simon G. Bott,Andrew R. Barron Dalton Trans., 2004, 3689-3694
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