CAS 628-21-7

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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

CAS 628-21-7

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 Formula	C₄H₈I₂
Molecular Weight	309.92 g/mol
XLogP3	3.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	3
Exact Mass	309.87155 g/mol
Monoisotopic Mass	309.87155 g/mol
Topological Polar Surface Area	0 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	17.5
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