Cas no 116384-57-7 (1-bromo-2-(diethoxyphosphorylmethoxy)ethane)
116384-57-7 structure
Product Name:1-bromo-2-(diethoxyphosphorylmethoxy)ethane
CAS No:116384-57-7
MF:C7H16BrO4P
MW:275.077302932739
CID:2614583
PubChem ID:13915985
Update Time:2025-04-21
1-bromo-2-(diethoxyphosphorylmethoxy)ethane Chemical and Physical Properties
Names and Identifiers
-
- 1-bromo-2-(diethoxyphosphorylmethoxy)ethane
- Diethyl 2-Bromoethoxymethanephosphonate;Diethyl 2-Bromoethoxymethylphosphonate;
- Diethyl [(2-bromoethoxy)methyl]phosphonate
- 116384-57-7
- DTXSID20552450
- SCHEMBL8419424
-
- Inchi： 1S/C7H16BrO4P/c1-3-11-13(9,12-4-2)7-10-6-5-8/h3-7H2,1-2H3
- InChI Key： JCOLUXJISZCBEN-UHFFFAOYSA-N
- SMILES： BrCCOCP(=O)(OCC)OCC
Computed Properties
- Exact Mass: 273.99700
- Monoisotopic Mass: 273.99696Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 8
- Complexity: 155
- 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: 0.9
- Topological Polar Surface Area: 44.8?2
Experimental Properties
- PSA: 54.57000
- LogP: 2.62150
1-bromo-2-(diethoxyphosphorylmethoxy)ethane Related Literature
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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