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2D Structure
Also known as: 624-38-4, P-diiodobenzene, Benzene, 1,4-diiodo-, Benzene, p-diiodo-, P-benzene diiodide, 1,4-diidobenzene
Molecular Formula
C6H4I2
Molecular Weight
329.90  g/mol
InChI Key
LFMWZTSOMGDDJU-UHFFFAOYSA-N
FDA UNII
I9XCF83VAV

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1,4-diiodobenzene
2.1.2 InChI
InChI=1S/C6H4I2/c7-5-1-2-6(8)4-3-5/h1-4H
2.1.3 InChI Key
LFMWZTSOMGDDJU-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC(=CC=C1I)I
2.2 Other Identifiers
2.2.1 UNII
I9XCF83VAV
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 624-38-4

2. P-diiodobenzene

3. Benzene, 1,4-diiodo-

4. Benzene, P-diiodo-

5. P-benzene Diiodide

6. 1,4-diidobenzene

7. I9xcf83vav

8. Nsc-6297

9. Mfcd00001054

10. Nsc 6297

11. Einecs 210-842-2

12. Unii-i9xcf83vav

13. Ai3-08885

14. Nsc6297

15. 1,4-diiodbenzene

16. 1,4 Diiodobenzene

17. 1,4-diiodiobenzene

18. Benzene,4-diiodo-

19. 1,4 Di-idobenzene

20. 1,4 Di-iodobenzene

21. 1,4-di-iodobenzene

22. 1,4-diiodo-benzene

23. Benzene, 1,4-iodo-

24. 4-iodophenyl Iodide

25. P-phenylene Diiodide

26. 1,4-diiodobenzene, 99%

27. Schembl67142

28. Chembl454178

29. Dtxsid2022092

30. Act12758

31. Zinc6827587

32. Stl280139

33. Akos000121397

34. Cs-w007412

35. Gs-6873

36. Ac-26088

37. Sy010001

38. Db-013767

39. Am20040890

40. D0608

41. Ft-0606881

42. 24d384

43. A20862

44. J-503998

45. J-610075

46. Q27280619

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 329.90 g/mol
Molecular Formula C6H4I2
XLogP34.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Exact Mass329.84025 g/mol
Monoisotopic Mass329.84025 g/mol
Topological Polar Surface Area0 Ų
Heavy Atom Count8
Formal Charge0
Complexity54.9
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1