CAS 3132-64-7

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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

CAS 3132-64-7

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 Formula	C₃H₅BrO
Molecular Weight	136.98 g/mol
XLogP3	0.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	135.95238 g/mol
Monoisotopic Mass	135.95238 g/mol
Topological Polar Surface Area	12.5 Å²
Heavy Atom Count	5
Formal Charge	0
Complexity	37.9
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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