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Also known as: 4214-28-2, 1-iodo-2,4-dimethylbenzene, Benzene, 1-iodo-2,4-dimethyl-, Nsc 3780, Einecs 224-141-4, 4-iodo-1,3-dimethyl benzene
Molecular Formula
C8H9I
Molecular Weight
232.06  g/mol
InChI Key
BUNKQJAMHYKQIM-UHFFFAOYSA-N
FDA UNII
L963Q2G47M

4214-28-2
1 2D Structure

4214-28-2

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-iodo-2,4-dimethylbenzene
2.1.2 InChI
InChI=1S/C8H9I/c1-6-3-4-8(9)7(2)5-6/h3-5H,1-2H3
2.1.3 InChI Key
BUNKQJAMHYKQIM-UHFFFAOYSA-N
2.2 Other Identifiers
2.2.1 UNII
L963Q2G47M
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 4214-28-2

2. 1-iodo-2,4-dimethylbenzene

3. Benzene, 1-iodo-2,4-dimethyl-

4. Nsc 3780

5. Einecs 224-141-4

6. 4-iodo-1,3-dimethyl Benzene

7. Dtxsid1063356

8. Dtxcid6040038

9. 224-141-4

10. Bunkqjamhykqim-uhfffaoysa-n

11. Inchi=1/c8h9i/c1-6-3-4-8(9)7(2)5-6/h3-5h,1-2h

12. 2,4-dimethyliodobenzene

13. 1,3-dimethyl-4-iodobenzene

14. M-xylene, 4-iodo-

15. 2,4-dimethyl-1-iodobenzene

16. Mfcd00013706

17. Nsc-3780

18. Iodo-m-xylene

19. Nsc3780

20. 4-jod-m-xylol

21. 1-iodo-2,4-dimethyl-benzen

22. 1-iodo-2,4-dimethyl-benzene

23. Schembl1010343

24. L963q2g47m

25. Bcp09622

26. Eaa21428

27. Akos009158933

28. As-17984

29. Sy017104

30. Db-050856

31. Cs-0128696

32. I0561

33. Ns00031106

34. En300-261350

35. F18834

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 232.06 g/mol
Molecular Formula C8H9I
XLogP33.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Exact Mass Da
Monoisotopic Mass Da
Topological Polar Surface Area0
Heavy Atom Count9
Formal Charge0
Complexity90.6
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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