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Also known as: Sec-butyl iodide, 513-48-4, 2-butyl iodide, Butane, 2-iodo-, Sec-iodobutane, 2-jodbutan
Molecular Formula
C4H9I
Molecular Weight
184.02  g/mol
InChI Key
IQRUSQUYPCHEKN-UHFFFAOYSA-N
FDA UNII
4302E40S4N

CAS 513-48-4
1 2D Structure

CAS 513-48-4

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-iodobutane
2.1.2 InChI
InChI=1S/C4H9I/c1-3-4(2)5/h4H,3H2,1-2H3
2.1.3 InChI Key
IQRUSQUYPCHEKN-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCC(C)I
2.2 Other Identifiers
2.2.1 UNII
4302E40S4N
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. Sec-butyl Iodide

2. 513-48-4

3. 2-butyl Iodide

4. Butane, 2-iodo-

5. Sec-iodobutane

6. 2-jodbutan

7. Nsc-8422

8. 4302e40s4n

9. 2-jodbutan [czech]

10. Nsc 8422

11. Einecs 208-163-1

12. Un2390

13. Brn 1718777

14. 2-iodanylbutane

15. 2-iodobutan

16. Unii-4302e40s4n

17. 2-iodo-butane

18. Sec.-butyl Iodide

19. Sec-c4h9i

20. Schembl99121

21. 2-01-00-00086 (beilstein Handbook Reference)

22. Wln: Iy2&1

23. (+/-)-2-iodobutane

24. Iqrusquypchekn-uhfffaoysa-

25. Dtxsid40858729

26. Nsc8422

27. Mfcd00001072

28. Butane, 2-iodo-, (.+/-.)-

29. Akos009157016

30. Sec-butyl Iodide Dl-form [mi]

31. Un 2390

32. 2-iodobutane, Contains Copper As Stabilizer

33. Ft-0612675

34. 2-iodobutane [un2390] [flammable Liquid]

35. A828546

36. J-802088

37. 2-iodobutane, >=98%, Contains Copper As Stabilizer

38. Q27258588

39. F2190-0175

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 184.02 g/mol
Molecular Formula C4H9I
XLogP32.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count1
Exact Mass183.97490 g/mol
Monoisotopic Mass183.97490 g/mol
Topological Polar Surface Area0 Ų
Heavy Atom Count5
Formal Charge0
Complexity19.6
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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