CAS 540-51-2

Chemistry

Chemistry

Also known as: 540-51-2, Ethylene bromohydrin, Ethanol, 2-bromo-, 2-bromoethan-1-ol, 2-bromo-1-ethanol, Glycol bromohydrin

Molecular Formula

C₂H₅BrO

Molecular Weight

124.96 g/mol

InChI Key

LDLCZOVUSADOIV-UHFFFAOYSA-N

FDA UNII

Z33995S34R

1 2D Structure

CAS 540-51-2

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-bromoethanol

2.1.2 InChI

InChI=1S/C2H5BrO/c3-1-2-4/h4H,1-2H2

2.1.3 InChI Key

LDLCZOVUSADOIV-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C(CBr)O

2.2 Other Identifiers

2.2.1 UNII

Z33995S34R

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Ethylene Bromohydrin

2. Ethylene Bromohydrin, 1-(13)c-labeled Cpd

3. Ethylene Bromohydrin, 14c-labeled Cpd

4. Ethylene Bromohydrin, 2-(14)c-labeled Cpd

2.3.2 Depositor-Supplied Synonyms

1. 540-51-2

2. Ethylene Bromohydrin

3. Ethanol, 2-bromo-

4. 2-bromoethan-1-ol

5. 2-bromo-1-ethanol

6. Glycol Bromohydrin

7. Bromoethanol

8. 2-hydroxyethyl Bromide

9. 1-bromo-2-ethanol

10. Ethylenebromohydrin

11. 2-bromoethyl Alcohol

12. 2-bromo-ethanol

13. Nsc-2869

14. Z33995s34r

15. Brj

16. Ccris 3862

17. Nsc 2869

18. Einecs 208-748-1

19. Brn 0878140

20. 2bromoethanol

21. Ai3-15350

22. 2-bromethanol

23. 2-bromo Ethanol

24. Unii-z33995s34r

25. 2-bromanylethanol

26. Glycol Bromohydrine

27. 2- Bromo Ethanol

28. Ethylenebromohydrine

29. 1-bromoethan-2-ol

30. Ch2brch2oh(trans)

31. Brch2ch2oh

32. 2-bromoethanol, 95%

33. Dsstox_cid_200

34. Br(ch2)2oh

35. Schembl7949

36. Wln: Q2e

37. Dsstox_rid_75429

38. Dsstox_gsid_20200

39. 4-01-00-01385 (beilstein Handbook Reference)

40. Chembl468583

41. Dtxsid8020200

42. .beta.-bromoethyl Alcohol

43. Ethylene Bromohydrin [mi]

44. Nsc2869

45. 2-bromoethanol, Analytical Standard

46. Amy39504

47. Bcp24052

48. Str01207

49. Zinc4978447

50. Tox21_201036

51. Mfcd00002827

52. Stl193987

53. Akos000118753

54. Rp10172

55. Ncgc00091063-01

56. Ncgc00091063-02

57. Ncgc00258589-01

58. 29155-34-8

59. Bp-21193

60. Cas-540-51-2

61. 2-bromoethanol, Purum, >=95.0% (gc)

62. B0590

63. Ft-0611552

64. A829928

65. W-105680

66. Q26841231

67. F2190-0181

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₂H₅BrO
Molecular Weight	124.96 g/mol
XLogP3	0.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	20.2
Heavy Atom Count	4
Formal Charge	0
Complexity	10
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

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