Cas no 4235-90-9 (Phenol, 4,4'-(1-methylethylidene)bis-, phosphite (3:1))
4235-90-9 structure
Product Name:Phenol, 4,4'-(1-methylethylidene)bis-, phosphite (3:1)
CAS No:4235-90-9
MF:C45H51O9P
MW:766.854814767838
CID:1515005
Update Time:2024-08-25
Phenol, 4,4'-(1-methylethylidene)bis-, phosphite (3:1) Chemical and Physical Properties
Names and Identifiers
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- Phenol, 4,4'-(1-methylethylidene)bis-, phosphite (3:1)
- 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol,phosphorous acid
- Bisphenol A Phosphite
- 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol,phosphorousaci
-
- Inchi： 1S/3C15H16O2.H3O3P/c3*1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12;1-4(2)3/h3*3-10,16-17H,1-2H3;1-3H
- InChI Key： GZWQHJNFUNCKFB-UHFFFAOYSA-N
- SMILES： C(C1=CC=C(O)C=C1)(C1=CC=C(O)C=C1)(C)C.C(C1=CC=C(O)C=C1)(C1=CC=C(O)C=C1)(C)C.C(C1=CC=C(O)C=C1)(C1=CC=C(O)C=C1)(C)C.P(O)(O)O
Computed Properties
- Exact Mass: 766.32723
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 9
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 55
- Rotatable Bond Count: 6
- Complexity: 217
- Covalently-Bonded Unit Count: 4
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: 20
- XLogP3: nothing
Experimental Properties
- Color/Form: Rosin like transparent block solid, brittle, can be grinded into white powder
- Boiling Point: 783.4±60.0 °C(Predicted)
- PSA: 182.07
- Solubility: Soluble in ethanol \ ether \ ketones and other organic solvents, insoluble in water
- pka: 10.09±0.10(Predicted)
Phenol, 4,4'-(1-methylethylidene)bis-, phosphite (3:1) Related Literature
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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