CAS 4028-63-1

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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

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 Formula	C₉H₁₁I
Molecular Weight	246.09 g/mol
XLogP3	4.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Exact Mass	245.99055 g/mol
Monoisotopic Mass	245.99055 g/mol
Topological Polar Surface Area	0 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	99.3
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

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