CAS 110-52-1

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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 Formula	C₄H₈Br₂
Molecular Weight	215.91 g/mol
XLogP3	2.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	3
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	0
Heavy Atom Count	6
Formal Charge	0
Complexity	17.5
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