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2D Structure
Also known as: 628-21-7, Tetramethylene iodide, Butane, 1,4-diiodo-, Tetramethylene diiodide, 1,4-diodobutane, 1,4-diiodo-butane
Molecular Formula
C4H8I2
Molecular Weight
309.92  g/mol
InChI Key
ROUYUBHVBIKMQO-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1,4-diiodobutane
2.1.2 InChI
InChI=1S/C4H8I2/c5-3-1-2-4-6/h1-4H2
2.1.3 InChI Key
ROUYUBHVBIKMQO-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C(CCI)CI
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 628-21-7

2. Tetramethylene Iodide

3. Butane, 1,4-diiodo-

4. Tetramethylene Diiodide

5. 1,4-diodobutane

6. 1,4-diiodo-butane

7. A,?-diiodobutane

8. Mfcd00001099

9. Einecs 211-032-1

10. Nsc 31721

11. Brn 1098276

12. 1,4 Diiodobutane

13. Butane,4-diiodo-

14. 1,4-bis(iodanyl)butane

15. 4-01-00-00276 (beilstein Handbook Reference)

16. Schembl243638

17. Dtxsid5060851

18. Nsc31721

19. Zinc6827713

20. 1,4-diiodobutane Stabilized Over Cu

21. Ac1274

22. Nsc-31721

23. Akos005146540

24. Cs-w004871

25. Ds-5743

26. Sy037746

27. D1701

28. Ft-0653471

29. A834019

30. J-802015

31. 1,4-diiodobutane, >=99%, Contains Copper As Stabilizer

32. F0001-1692

2.3 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 309.92 g/mol
Molecular Formula C4H8I2
XLogP33.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count3
Exact Mass309.87155 g/mol
Monoisotopic Mass309.87155 g/mol
Topological Polar Surface Area0 Ų
Heavy Atom Count6
Formal Charge0
Complexity17.5
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1