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Also known as: 78-77-3, Isobutyl bromide, Iso-butyl bromide, Propane, 1-bromo-2-methyl-, I-butyl bromide, Ccris 349
Molecular Formula
C4H9Br
Molecular Weight
137.02  g/mol
InChI Key
HLVFKOKELQSXIQ-UHFFFAOYSA-N
FDA UNII
5OEC0BW987

CAS 78-77-3
1 2D Structure

CAS 78-77-3

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-bromo-2-methylpropane
2.1.2 InChI
InChI=1S/C4H9Br/c1-4(2)3-5/h4H,3H2,1-2H3
2.1.3 InChI Key
HLVFKOKELQSXIQ-UHFFFAOYSA-N
2.2 Other Identifiers
2.2.1 UNII
5OEC0BW987
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 78-77-3

2. Isobutyl Bromide

3. Iso-butyl Bromide

4. Propane, 1-bromo-2-methyl-

5. I-butyl Bromide

6. Ccris 349

7. Nsc 8416

8. Einecs 201-141-2

9. Unii-5oec0bw987

10. 5oec0bw987

11. Iso-c4h9br

12. Dtxsid1052539

13. Ai3-18130

14. Nsc-8416

15. Isobutyl Bromide [mi]

16. Dtxcid2031112

17. Ec 201-141-2

18. Un 2342

19. 2methylpropyl Bromide

20. Propane, 1bromo2methyl

21. Un2342

22. Hlvfkokelqsxiq-uhfffaoysa-n

23. Inchi=1/c4h9br/c1-4(2)3-5/h4h,3h2,1-2h

24. 1-bromo-2-methyl-propane

25. Mfcd00000217

26. Bromoacetaldehydedimethylacetal

27. Bromoisobutane

28. 2-methylpropyl Bromide

29. Isobutylbromid

30. Isobutylbromide

31. I-butylbromide

32. Iso-butylbromide

33. Isobutyl-bromide

34. I-bubr

35. 1-methyl-2-propyl Bromide; 2-methylpropyl Bromide; Bromoisobutane; Isobutyl Bromide; Nsc 8416; Iso-butyl Bromide

36. 2-methylbromopropane

37. 2-methylpropylbromide

38. 2-methyl Bromopropane

39. 1-bromo-2methylpropane

40. 1-bromo-2-methylpropan

41. L-bromo-2-methylpropane

42. 3-bromo-2-methylpropane

43. 1 -bromo-2-methylpropane

44. 1-bromo 2-methyl Propane

45. 1-bromo-2-methyl Propane

46. Schembl7399

47. Chembl346532

48. 1-bromo-2-methylpropane, 99%

49. Wln: E1y1&1

50. Nsc8416

51. Bcp21482

52. Tox21_303878

53. Bbl036259

54. Stl264117

55. Akos000118762

56. Pb48146

57. Cas-78-77-3

58. Ncgc00357138-01

59. Vs-13394

60. A9430

61. B0616

62. Ns00006245

63. En300-19287

64. P19652

65. Q15632844

66. F1908-0100

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 137.02 g/mol
Molecular Formula C4H9Br
XLogP32.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count1
Exact Mass Da
Monoisotopic Mass Da
Topological Polar Surface Area0
Heavy Atom Count5
Formal Charge0
Complexity17.6
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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