Cas no 62516-54-5 (Phosphonic acid, (2-bromoethyl)-, bis(2-chloroethyl) ester)
62516-54-5 structure
Product Name:Phosphonic acid, (2-bromoethyl)-, bis(2-chloroethyl) ester
CAS No:62516-54-5
MF:C6H12BrCl2O3P
MW:313.941440582275
CID:441951
PubChem ID:71385647
Update Time:2025-04-19
Phosphonic acid, (2-bromoethyl)-, bis(2-chloroethyl) ester Chemical and Physical Properties
Names and Identifiers
-
- Phosphonic acid, (2-bromoethyl)-, bis(2-chloroethyl) ester
- 1-[2-bromoethyl(2-chloroethoxy)phosphoryl]oxy-2-chloroethane
- Bis(2-chloroethyl) (2-bromoethyl)phosphonate
- 62516-54-5
- DTXSID80807872
-
- Inchi： 1S/C6H12BrCl2O3P/c7-1-6-13(10,11-4-2-8)12-5-3-9/h1-6H2
- InChI Key： DDLUJYDBSYZZGO-UHFFFAOYSA-N
- SMILES： BrCCP(=O)(OCCCl)OCCCl
Computed Properties
- Exact Mass: 311.90856
- Monoisotopic Mass: 311.90845g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 8
- Complexity: 158
- 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: 1.4
- Topological Polar Surface Area: 35.5?2
Experimental Properties
- PSA: 35.53
Phosphonic acid, (2-bromoethyl)-, bis(2-chloroethyl) ester Related Literature
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Xiaofeng Lin RSC Adv., 2016,6, 9002-9006
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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