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CAS 110-52-1
Also known as: 110-52-1, Tetramethylene dibromide, Butane, 1,4-dibromo-, 1,4-butylene bromide, 1,4-dibrombutan, Tetramethylene bromide
Molecular Formula
C4H8Br2
Molecular Weight
215.91  g/mol
InChI Key
ULTHEAFYOOPTTB-UHFFFAOYSA-N
FDA UNII
G49PHR6JFU

1 2D Structure

CAS 110-52-1

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1,4-dibromobutane
2.1.2 InChI
InChI=1S/C4H8Br2/c5-3-1-2-4-6/h1-4H2
2.1.3 InChI Key
ULTHEAFYOOPTTB-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C(CCBr)CBr
2.2 Other Identifiers
2.2.1 UNII
G49PHR6JFU
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 110-52-1

2. Tetramethylene Dibromide

3. Butane, 1,4-dibromo-

4. 1,4-butylene Bromide

5. 1,4-dibrombutan

6. Tetramethylene Bromide

7. 1,4-dibromo-butane

8. 1.4-dibromobutane

9. G49phr6jfu

10. Dbb

11. Dtxsid5044364

12. Nsc-71435

13. Tetramethylenebromide

14. Alpha,omega-dibromobutane

15. 1,4-dibrombutan [german]

16. Ccris 8917

17. Einecs 203-775-5

18. Unii-g49phr6jfu

19. Nsc 71435

20. Brn 1071199

21. Ai3-14617

22. 1,4dibromobutane

23. 1,4-dibrombutane

24. 1,4-dibromobutan

25. 1,4 Dibromobutane

26. Butane,4-dibromo-

27. Mfcd00000261

28. 1, 4-dibromobutane

29. 1,4 -dibromobutane

30. 1,4-dibromo Butane

31. Dibromo-1,4 Butane

32. 1, 4-dibromo-butane

33. 1,4-dibromo-n-butane

34. Brch2ch2ch2ch2br

35. 1,4-bis(bromanyl)butane

36. Schembl8484

37. Wln: E4e

38. 1,4-dibromobutane, 99%

39. Nciopen2_003230

40. 4-01-00-00267 (beilstein Handbook Reference)

41. Dibromobutane, 1,4-

42. Chembl3185714

43. Dtxcid3024364

44. Nsc71435

45. Tox21_301070

46. Bbl027293

47. Stl280306

48. Akos000118763

49. Cs-w020631

50. Ncgc00248278-01

51. Ncgc00254971-01

52. Bp-21423

53. Cas-110-52-1

54. Am20080049

55. D0176

56. Ft-0606854

57. En300-19289

58. D77910

59. A802208

60. Q161522

61. Inchi=1/c4h8br2/c5-3-1-2-4-6/h1-4h

62. Q-200082

63. F1908-0120

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 215.91 g/mol
Molecular Formula C4H8Br2
XLogP32.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count3
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area0
Heavy Atom Count6
Formal Charge0
Complexity17.5
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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