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Technical details about 2-Bromopropane, learn more about the structure, uses, toxicity, action, side effects and more

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2D Structure
1. Also known as: 75-26-3, Isopropyl bromide, Propane, 2-bromo-, Isopropylbromide, 2-bromo-propane, Sec-propyl bromide
Molecular Formula
C3H7Br
Molecular Weight
122.99  g/mol
InChI Key
NAMYKGVDVNBCFQ-UHFFFAOYSA-N
FDA UNII
R651XOV97Z

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-bromopropane
2.1.2 InChI
InChI=1S/C3H7Br/c1-3(2)4/h3H,1-2H3
2.1.3 InChI Key
NAMYKGVDVNBCFQ-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC(C)Br
2.2 Other Identifiers
2.2.1 UNII
R651XOV97Z
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Isopropyl Bromide

2.3.2 Depositor-Supplied Synonyms

1. 75-26-3

2. Isopropyl Bromide

3. Propane, 2-bromo-

4. Isopropylbromide

5. 2-bromo-propane

6. Sec-propyl Bromide

7. 2-bromo Propane

8. Un2344

9. R651xov97z

10. Mfcd00000147

11. Ccris 7919

12. Hsdb 623

13. Einecs 200-855-1

14. Unii-r651xov97z

15. I-propylbromide

16. Ai3-18127

17. 2-brompropan

18. Iso-propylbromide

19. I-propyl Bromide

20. 2-bromanylpropane

21. 2-propyl Bromide

22. 1-isopropylbromide

23. Iso-propyl Bromide

24. I-prbr

25. Iso-c3h7br

26. 1-bromo-1-methylethane

27. 2-bromopropane, 99%

28. Ec 200-855-1

29. 2-bromopropane [un2344] [flammable Liquid]

30. 2-bromopropane, >=99%

31. Dsstox_cid_10197

32. Dsstox_rid_78840

33. Dsstox_gsid_30197

34. Schembl10251

35. Isopropyl Bromide [mi]

36. Chembl451810

37. Dtxsid7030197

38. 2-bromopropane, Analytical Standard

39. Amy37129

40. Zinc2041293

41. Tox21_200356

42. Bbl027287

43. Br1118

44. Stl146524

45. Akos000119846

46. Un-2344

47. Cas-75-26-3

48. Ncgc00091451-01

49. Ncgc00091451-02

50. Ncgc00257910-01

51. Vs-08520

52. 2-bromopropane, Purum, >=99.0% (gc)

53. B0639

54. Ft-0611602

55. D87619

56. A838364

57. Q209323

58. J-508539

59. F0001-1897

2.4 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 122.99 g/mol
Molecular Formula C3H7Br
XLogP31.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Exact Mass121.97311 g/mol
Monoisotopic Mass121.97311 g/mol
Topological Polar Surface Area0 Ų
Heavy Atom Count4
Formal Charge0
Complexity10.8
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
4 Pharmacology and Biochemistry
4.1 MeSH Pharmacological Classification

Solvents

Liquids that dissolve other substances (solutes), generally solids, without any change in chemical composition, as, water containing sugar. (Grant and Hackh's Chemical Dictionary, 5th ed) (See all compounds classified as Solvents.)


Mutagens

Chemical agents that increase the rate of genetic mutation by interfering with the function of nucleic acids. A clastogen is a specific mutagen that causes breaks in chromosomes. (See all compounds classified as Mutagens.)


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