CAS 33884-43-4

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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

CAS 33884-43-4

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 Formula	C₆H₁₁BrO₂
Molecular Weight	195.05 g/mol
XLogP3	1.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	193.99424 g/mol
Monoisotopic Mass	193.99424 g/mol
Topological Polar Surface Area	18.5 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	71.5
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1