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Technical details about CAS 33884-43-4, learn more about the structure, uses, toxicity, action, side effects and more

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2D Structure
Also known as: 33884-43-4, 1,3-dioxane, 2-(2-bromoethyl)-, 3-bromopropionaldehyde trimethylene acetal, 2(2-bromoethyl)-1,3-dioxane, 2-(2-bromethyl)-1,3-dioxane, 2-(2-bromoethyl)-[1,3]dioxane
Molecular Formula
C6H11BrO2
Molecular Weight
195.05  g/mol
InChI Key
WMDHQEHPOVOEOG-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-(2-bromoethyl)-1,3-dioxane
2.1.2 InChI
InChI=1S/C6H11BrO2/c7-3-2-6-8-4-1-5-9-6/h6H,1-5H2
2.1.3 InChI Key
WMDHQEHPOVOEOG-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1COC(OC1)CCBr
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 33884-43-4

2. 1,3-dioxane, 2-(2-bromoethyl)-

3. 3-bromopropionaldehyde Trimethylene Acetal

4. 2(2-bromoethyl)-1,3-dioxane

5. 2-(2-bromethyl)-1,3-dioxane

6. 2-(2-bromoethyl)-[1,3]dioxane

7. Mfcd00006567

8. Bromoethyl-1,3-dioxane

9. Schembl628132

10. 2-(2-bromoetyl) 1,3-dioxane

11. Wmdhqehpovoeog-uhfffaoysa-

12. 2-(2-bromoethyl) 1,3-dioxane

13. Dtxsid10885567

14. Zinc155380

15. Act08504

16. Bcp30766

17. 2-(2-bromo-ethyl)-[1,3]dioxane

18. 2-(2-bromoethyl)-[1,3]-dioxane

19. Akos015836230

20. 2-(2-bromoethyl)-1,3-dioxane Purum

21. Cs-w010633

22. 2-(2-bromoethyl)-1,3-dioxane, 98%

23. As-59319

24. Sy006188

25. Db-048519

26. Ft-0608432

27. Ft-0608433

28. A821982

29. W-106764

30. F0001-0993

31. 2-(2-bromoethyl)-1,3-dioxane, Purum, >=97.5% (gc)

32. 1,3-dioxane, 2-(2-bromoethyl)-; 2-(2-bromoethyl)-3-dioxane;3-bromopropionaldehyde Trimethylene Acetal

2.3 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 195.05 g/mol
Molecular Formula C6H11BrO2
XLogP31.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass193.99424 g/mol
Monoisotopic Mass193.99424 g/mol
Topological Polar Surface Area18.5 Ų
Heavy Atom Count9
Formal Charge0
Complexity71.5
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1