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Overview of CAS 4028-63-1 

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4CH-014846
PharmaCompass
  • Chemistry
4CH-014846
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
246.091  g/mol
InChI Key
GTPNXFKONRIHRW-UHFFFAOYSA-N

1 2D Structure

4CH-014846

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. Gtpnxfkonrihrw-uhfffaoysa-n

11. 2,4,6-trimethyliodobenzene (2-iodomesitylene)

12. Jodmesitylen

13. Mesityliodine

14. Nsc68044

15. Einecs 223-709-9

16. Pubchem12601

17. Acmc-209jcr

18. Ac1l2tie

19. Ac1q2hzr

20. Maybridge1_002852

21. Ksc490o0b

22. Divk1c_001604

23. Schembl760815

24. Ctk3j0700

25. Gtpnxfkonrihrw-uhfffaoysa-

26. Hms549j14

27. Ks-00000moy

28. Dtxsid60193265

29. 2-iodo-1,3,5-trimethyl-benzene

30. 2-iodo-1,3,5-trimethylbenzene #

31. Zinc1048861

32. Anw-29353

33. Ccg-54594

34. Nsc-68044

35. Sbb100081

36. Akos015853821

37. Cs-w007852

38. Mcule-6952432124

39. Rtr-016097

40. Vz22432

41. Cds1_000564

42. Ac-22945

43. Aj-24811

44. Ak-50725

45. As-19323

46. Cd 07694

47. Cj-04697

48. Sc-88437

49. Sy029295

50. Zb015792

51. Ab0033391

52. Db-028116

53. St2415728

54. Tr-016097

55. 4ch-014846

56. Am20040409

57. Ft-0612679

58. I0478

59. X6930

60. Mfcd00013707 (98%)

61. Y-9074

62. I01-5907

63. Sr-01000643683-1

64. Inchi=1/c9h11i/c1-6-4-7(2)9(10)8(3)5-6/h4-5h,1-3h3

2.3 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 246.091 g/mol
Molecular Formula C9H11I
XLogP34.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Exact Mass245.991 g/mol
Monoisotopic Mass245.991 g/mol
Topological Polar Surface Area0 A^2
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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