Cas no 4151-23-9 (Phosphonic acid,phenyl-, 1,4-butanediyl diethyl ester (9CI))
4151-23-9 structure
Product Name:Phosphonic acid,phenyl-, 1,4-butanediyl diethyl ester (9CI)
CAS No:4151-23-9
MF:C20H28O6P2
MW:426.380248069763
CID:333321
PubChem ID:417058
Update Time:2025-04-19
Phosphonic acid,phenyl-, 1,4-butanediyl diethyl ester (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Phosphonic acid,phenyl-, 1,4-butanediyl diethyl ester (9CI)
- [ethoxy-[4-[ethoxy(phenyl)phosphoryl]oxybutoxy]phosphoryl]benzene
- AC1L9CT1
- NSC86054
- NSC-86054
- DTXSID10329052
- 4151-23-9
-
- Inchi： 1S/C20H28O6P2/c1-3-23-27(21,19-13-7-5-8-14-19)25-17-11-12-18-26-28(22,24-4-2)20-15-9-6-10-16-20/h5-10,13-16H,3-4,11-12,17-18H2,1-2H3
- InChI Key： LCHIXNCQYDQKTP-UHFFFAOYSA-N
- SMILES： P(C1C=CC=CC=1)(=O)(OCC)OCCCCOP(C1C=CC=CC=1)(=O)OCC
Computed Properties
- Exact Mass: 426.13624
- Monoisotopic Mass: 426.136
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 28
- Rotatable Bond Count: 13
- Complexity: 469
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.3
- Topological Polar Surface Area: 71.1?2
Experimental Properties
- Density: 1.19
- Boiling Point: 526.7°C at 760 mmHg
- Flash Point: 285.3°C
- Refractive Index: 1.523
- PSA: 71.06
- LogP: 4.91000
Phosphonic acid,phenyl-, 1,4-butanediyl diethyl ester (9CI) Related Literature
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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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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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
4151-23-9 (Phosphonic acid,phenyl-, 1,4-butanediyl diethyl ester (9CI)) Related Products
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