CAS 513-48-4

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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

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 Formula	C₄H₉I
Molecular Weight	184.02 g/mol
XLogP3	2.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	1
Exact Mass	183.97490 g/mol
Monoisotopic Mass	183.97490 g/mol
Topological Polar Surface Area	0 Å²
Heavy Atom Count	5
Formal Charge	0
Complexity	19.6
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1