Cas no 93777-22-1 (Phenol,2,4,6-tris(1-phenylethyl)-, hydrogen phosphate (9CI))
93777-22-1 structure
Product Name:Phenol,2,4,6-tris(1-phenylethyl)-, hydrogen phosphate (9CI)
CAS No:93777-22-1
MF:C60H59O4P
MW:875.081837892532
CID:808695
PubChem ID:16205768
Update Time:2025-04-19
Phenol,2,4,6-tris(1-phenylethyl)-, hydrogen phosphate (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Phenol,2,4,6-tris(1-phenylethyl)-, hydrogen phosphate (9CI)
- bis[2,4,6-tris(1-phenylethyl)phenyl] hydrogen phosphate
- 93777-22-1
- NS00062678
- DTXSID301209656
- Bis(2,4,6-tris(1-phenylethyl)phenyl) hydrogen phosphate
- Phenol, 2,4,6-tris(1-phenylethyl)-, hydrogen phosphate
- EINECS 298-051-9
-
- Inchi： 1S/C60H59O4P/c1-41(47-25-13-7-14-26-47)53-37-55(43(3)49-29-17-9-18-30-49)59(56(38-53)44(4)50-31-19-10-20-32-50)63-65(61,62)64-60-57(45(5)51-33-21-11-22-34-51)39-54(42(2)48-27-15-8-16-28-48)40-58(60)46(6)52-35-23-12-24-36-52/h7-46H,1-6H3,(H,61,62)
- InChI Key： ZAAULMRZYFHALK-UHFFFAOYSA-N
- SMILES： P(=O)(O)(OC1=C(C=C(C=C1C(C)C1C=CC=CC=1)C(C)C1C=CC=CC=1)C(C)C1C=CC=CC=1)OC1=C(C=C(C=C1C(C)C1C=CC=CC=1)C(C)C1C=CC=CC=1)C(C)C1C=CC=CC=1
Computed Properties
- Exact Mass: 874.415097
- Monoisotopic Mass: 874.415097
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 65
- Rotatable Bond Count: 16
- Complexity: 1240
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 6
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 55.8
- XLogP3: 16.1
Experimental Properties
- Density: 1.141
- Boiling Point: 870.5°C at 760 mmHg
- Flash Point: 480.3°C
- Refractive Index: 1.612
- PSA: 65.57000
- LogP: 16.15560
Phenol,2,4,6-tris(1-phenylethyl)-, hydrogen phosphate (9CI) Related Literature
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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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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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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