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Also known as: 821-06-7, (e)-1,4-dibromobut-2-ene, Trans-1,4-dibromo-2-butene, (e)-1,4-dibromo-2-butene, 1,4-dibromobut-2-ene, 6974-12-5
Molecular Formula
C4H6Br2
Molecular Weight
213.90  g/mol
InChI Key
RMXLHIUHKIVPAB-OWOJBTEDSA-N

CAS 821-06-7
1 2D Structure

CAS 821-06-7

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(E)-1,4-dibromobut-2-ene
2.1.2 InChI
InChI=1S/C4H6Br2/c5-3-1-2-4-6/h1-2H,3-4H2/b2-1+
2.1.3 InChI Key
RMXLHIUHKIVPAB-OWOJBTEDSA-N
2.1.4 Canonical SMILES
C(C=CCBr)Br
2.1.5 Isomeric SMILES
C(/C=C/CBr)Br
2.2 Synonyms
2.2.1 MeSH Synonyms

1. Trans-1,4-dibromo-2-butene

2.2.2 Depositor-Supplied Synonyms

1. 821-06-7

2. (e)-1,4-dibromobut-2-ene

3. Trans-1,4-dibromo-2-butene

4. (e)-1,4-dibromo-2-butene

5. 1,4-dibromobut-2-ene

6. 6974-12-5

7. 2-butene, 1,4-dibromo-, (2e)-

8. Trans-1,4-dibromobut-2-ene

9. (2e)-1,4-dibromobut-2-ene

10. 1,4-dibromo-2-butylene

11. Tl 80

12. 2-butene, 1,4-dibromo-

13. (2e)-1,4-dibromo-2-butene

14. 30794-77-5

15. Mfcd00000249

16. Einecs 212-472-7

17. Brn 1719696

18. Einecs 230-219-9

19. 2-butene, 1,4-dibromo-, (e)-

20. Brn 1719694

21. 2-butene, 1,4-dibromo-, Trans-

22. 1,4-dibromo-2-buten

23. Dsstox_cid_4941

24. E-1,4-dibromobut-2-ene

25. Ec 212-472-7

26. Dsstox_rid_77591

27. Dsstox_gsid_24941

28. 1,4-trans-dibromo-2-butene

29. 4-01-00-00791 (beilstein Handbook Reference)

30. Trans 1,4-dibromobut-2-ene

31. Schembl102759

32. Schembl137154

33. (e)-1,4-dibromo-but-2-ene

34. Chembl1324439

35. Dtxsid8024941

36. Act03298

37. Bcp28223

38. Zinc1602462

39. Tox21_202728

40. Stl280288

41. Trans-1,4-dibromo-2-butene, 99%

42. Akos015833855

43. Fs-4554

44. Ncgc00091773-01

45. Ncgc00260276-01

46. Cas-821-06-7

47. Ls-12982

48. Db-027256

49. Cs-0017873

50. D2944

51. A19492

52. D72529

53. F16803

54. 2-01-00-00177 (beilstein Handbook Reference)

55. W-104187

2.3 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 213.90 g/mol
Molecular Formula C4H6Br2
XLogP32.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count2
Exact Mass213.88158 g/mol
Monoisotopic Mass211.88363 g/mol
Topological Polar Surface Area0 Ų
Heavy Atom Count6
Formal Charge0
Complexity34.8
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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