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Also known as: 4028-63-1, 2-iodomesitylene, 2-iodo-1,3,5-trimethylbenzene, Mesityl iodide, Iodomesitylene, Benzene, 2-iodo-1,3,5-trimethyl-
Molecular Formula
C9H11I
Molecular Weight
246.09  g/mol
InChI Key
GTPNXFKONRIHRW-UHFFFAOYSA-N

CAS 4028-63-1 
1 2D Structure

CAS 4028-63-1 

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-iodo-1,3,5-trimethylbenzene
2.1.2 InChI
InChI=1S/C9H11I/c1-6-4-7(2)9(10)8(3)5-6/h4-5H,1-3H3
2.1.3 InChI Key
GTPNXFKONRIHRW-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC1=CC(=C(C(=C1)C)I)C
2.2 Synonyms
2.2.1 MeSH Synonyms

1. 2-iodo-1,3,5-trimethylbenzene

2. Iodomesitylene

2.2.2 Depositor-Supplied Synonyms

1. 4028-63-1

2. 2-iodomesitylene

3. 2-iodo-1,3,5-trimethylbenzene

4. Mesityl Iodide

5. Iodomesitylene

6. Benzene, 2-iodo-1,3,5-trimethyl-

7. Mfcd00013707

8. Iodo-2,4,6-trimethylbenzene

9. 1-iodo-2,4,6-trimethylbenzene

10. Mesityliodide

11. Jodmesitylen

12. Mesityliodine

13. Nsc68044

14. Mesityliodine(iii)

15. Einecs 223-709-9

16. 2-iodo-1

17. Maybridge1_002852

18. Divk1c_001604

19. Schembl760815

20. Gtpnxfkonrihrw-uhfffaoysa-

21. Hms549j14

22. Dtxsid60193265

23. 2-iodo-1,3,5-trimethyl-benzene

24. 2-iodo-1,3,5-trimethylbenzene #

25. Zinc1048861

26. Ac1617

27. Ccg-54594

28. Nsc 68044

29. Nsc-68044

30. Akos015853821

31. Cs-w007852

32. Cds1_000564

33. Ac-22945

34. As-19323

35. Cd 07694

36. Sy029295

37. Db-028116

38. Am20040409

39. Ft-0612679

40. I0478

41. 2-iodo-1,3,5-trimethyl-benzene;2-iodomesitylene

42. A825033

43. Sr-01000643683-1

2.3 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 246.09 g/mol
Molecular Formula C9H11I
XLogP34.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Exact Mass245.99055 g/mol
Monoisotopic Mass245.99055 g/mol
Topological Polar Surface Area0 Ų
Heavy Atom Count10
Formal Charge0
Complexity99.3
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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