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2D Structure
Also known as: 3132-64-7, 1-bromo-2,3-epoxypropane, 2-(bromomethyl)oxirane, Epibromohydrine, Epibromhydrin, (bromomethyl)oxirane
Molecular Formula
C3H5BrO
Molecular Weight
136.98  g/mol
InChI Key
GKIPXFAANLTWBM-UHFFFAOYSA-N
FDA UNII
8E89677I6B

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-(bromomethyl)oxirane
2.1.2 InChI
InChI=1S/C3H5BrO/c4-1-3-2-5-3/h3H,1-2H2
2.1.3 InChI Key
GKIPXFAANLTWBM-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1C(O1)CBr
2.2 Other Identifiers
2.2.1 UNII
8E89677I6B
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 3132-64-7

2. 1-bromo-2,3-epoxypropane

3. 2-(bromomethyl)oxirane

4. Epibromohydrine

5. Epibromhydrin

6. (bromomethyl)oxirane

7. Oxirane, (bromomethyl)-

8. (bromomethyl)ethylene Oxide

9. 1,2-epoxy-3-bromopropane

10. 3-bromo-1,2-epoxypropane

11. 3-bromopropylene Oxide

12. Alpha-epibromohydrin

13. Epibromhydrine

14. Propane, 1-bromo-2,3-epoxy-

15. Propane, 3-bromo-1,2-epoxy-

16. Nsc 630

17. Oxirane, 2-(bromomethyl)-

18. (rs)-3-bromo-1,2-epoxypropane

19. 2,3-epoxypropyl Bromide

20. Chebi:18718

21. Nsc-630

22. 8e89677i6b

23. Oxirane, 2-(bromomethyl)-, Homopolymer

24. 27815-35-6

25. Epibromhidrina

26. Epibromhydrine [french]

27. Epibromhidrina [spanish]

28. Ccris 2620

29. Hsdb 2717

30. Einecs 221-525-3

31. Un2558

32. Brn 0079786

33. Oxiranylmethyl Bromide

34. Bromohydrin

35. Ai3-03546

36. Unii-8e89677i6b

37. 2-bromomethyloxiran

38. Propane,2-epoxy-

39. 2-bromomethyloxirane

40. 2-bromomethyl-oxirane

41. Racemic Epibromohydrine

42. Epibromohydrin, 98%

43. (+/-)-epibromohydrin

44. 2-(bromomethyl) Oxirane

45. 2-(bromomethyl)-oxirane

46. Epoxy Bromopropane

47. Dsstox_cid_5237

48. Wln: T3otj B1e

49. Dsstox_rid_77711

50. 1-bromo-2,3-epoxypropane-

51. Dsstox_gsid_25237

52. Schembl78600

53. Epibromohydrin [hsdb]

54. (r/s)-2-bromomethyl-oxirane

55. Nsc630

56. Chembl3183066

57. Dtxsid5025237

58. (.+/-.)-(bromomethyl)oxirane

59. Epibromohydrin, (+/-)-

60. Amy31919

61. Tox21_202607

62. Br1167

63. Mfcd00005130

64. Akos002664702

65. Akos016043519

66. Epibromohydrin [un2558] [poison]

67. Un 2558

68. (bromomethyl)oxirane, (+/-)-

69. Epibromohydrin;1-bromo-2,3-epoxypropane

70. Ncgc00260155-01

71. Bp-21061

72. Epibromohydrin, Purum, >=97.5% (gc)

73. Ls-12953

74. Cas-3132-64-7

75. Ft-0622147

76. 3-bromo-1,2-epoxypropane, (+/-)-

77. W-106908

78. Q27109087

2.4 Create Date
2004-09-16
3 Chemical and Physical Properties
Molecular Weight 136.98 g/mol
Molecular Formula C3H5BrO
XLogP30.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass135.95238 g/mol
Monoisotopic Mass135.95238 g/mol
Topological Polar Surface Area12.5 Ų
Heavy Atom Count5
Formal Charge0
Complexity37.9
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1