CAS 75-26-3

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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

2-Bromopropane is an organobromide compound. It is used for introducing the isopropyl functional group in organic synthesis. 2-Bromopropane is sometimes used as an alternative to ozone-depleting cleaning solvents such as chlorofluorocarbons. 2-Bromopropane is prepared by heating isopropanol with hydrobromic acid.

1 2D Structure

CAS 75-26-3

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. 2-bromopropane-d6

10. R651xov97z

11. Dtxsid7030197

12. Mfcd00000147

13. Ccris 7919

14. Hsdb 623

15. 2-bromopropane, 99%

16. Einecs 200-855-1

17. Unii-r651xov97z

18. I-propylbromide

19. Ai3-18127

20. Iso-propylbromide

21. I-propyl Bromide

22. 2-bromanylpropane

23. 2-propyl Bromide

24. 1-isopropylbromide

25. Iso-propyl Bromide

26. I-prbr

27. Iso-c3h7br

28. 1-bromo-1-methylethane

29. Ec 200-855-1

30. 2-bromopropane [un2344] [flammable Liquid]

31. 2-bromopropane, >=99%

32. Schembl10251

33. Isopropyl Bromide [mi]

34. Chembl451810

35. Dtxcid5010197

36. 2-bromopropane, Analytical Standard

37. Amy37129

38. Tox21_200356

39. Bbl027287

40. Br1118

41. Stl146524

42. Akos000119846

43. Un-2344

44. Cas-75-26-3

45. Ncgc00091451-01

46. Ncgc00091451-02

47. Ncgc00257910-01

48. Vs-08520

49. 2-bromopropane, Purum, >=99.0% (gc)

50. B0639

51. Ft-0611602

52. En300-20069

53. D87619

54. Inchi=1/c3h7br/c1-3(2)4/h3h,1-2h

55. A838364

56. Q209323

57. J-508539

58. 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	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	0
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.)

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