Cas no 20224-50-4 (Phosphoric acid,tris(1,1-dimethylethyl) ester)
20224-50-4 structure
Product Name:Phosphoric acid,tris(1,1-dimethylethyl) ester
CAS No:20224-50-4
MF:C12H27O4P
MW:266.314145326614
CID:288834
PubChem ID:567509
Update Time:2025-04-19
Phosphoric acid,tris(1,1-dimethylethyl) ester Chemical and Physical Properties
Names and Identifiers
-
- Phosphoric acid,tris(1,1-dimethylethyl) ester
- tritert-butyl phosphate
- Tris(1,1-dimethylethyl) phosphate
- Tri-tert-butylphosphate
- 20224-50-4
- tri-t-butyl phosphate
- Tri(tert-butyl) phosphate #
- SCHEMBL486485
- CQXYINNETWHZTR-UHFFFAOYSA-N
- DTXSID80174071
- Phosphoric acid, tris(1,1-dimethylethyl) ester
- DTXCID0096562
-
- Inchi： 1S/C12H27O4P/c1-10(2,3)14-17(13,15-11(4,5)6)16-12(7,8)9/h1-9H3
- InChI Key： CQXYINNETWHZTR-UHFFFAOYSA-N
- SMILES： P(=O)(OC(C)(C)C)(OC(C)(C)C)OC(C)(C)C
Computed Properties
- Exact Mass: 266.16469634g/mol
- Monoisotopic Mass: 266.16469634g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 6
- Complexity: 244
- 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: 2.5
- Topological Polar Surface Area: 44.8?2
Phosphoric acid,tris(1,1-dimethylethyl) ester Related Literature
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1. Index of subjects, 1950
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2. Quasiphosphonium intermediates. Part 7. The preparation of trinorborn-1-yl phosphite and its reactions with halogeno compounds: stable intermediates of the Arbuzov and Perkow reactions and their structural characterization by X-ray diffraction, NMR spectroscopy, and fast atom bombardment mass spectrometryHarry R. Hudson,Ray W. Matthews,Mary McPartlin,Michael A. Pryce,Oluyemisi O. Shode J. Chem. Soc. Perkin Trans. 2 1993 1433
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3. 127. The synthesis and hydrolysis of t-butyl phosphateA. Lapidot,David Samuel,M. Weiss-Broday J. Chem. Soc. 1964 637
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Galina Ionova,Sergei Ionov,Catherine Rabbe,Clément Hill,Charles Madic,Robert Guillaumont,Giuseppe Modolo,Jean Claude Krupa New J. Chem. 2001 25 491
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Qiang Liu,Gijsbert A. van der Marel,Dmitri V. Filippov Org. Biomol. Chem. 2019 17 5460
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