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2-Bromopropane

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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

2-Bromopropane

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 Formula	C₃H₇Br
Molecular Weight	122.99 g/mol
XLogP3	1.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Exact Mass	121.97311 g/mol
Monoisotopic Mass	121.97311 g/mol
Topological Polar Surface Area	0 Å²
Heavy Atom Count	4
Formal Charge	0
Complexity	10.8
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

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.)