CAS 624-31-7

Chemistry

Chemistry

Also known as: 1-iodo-4-methylbenzene, 624-31-7, P-iodotoluene, Benzene, 1-iodo-4-methyl-, P-methyliodobenzene, Toluene, p-iodo-

Molecular Formula

C₇H₇I

Molecular Weight

218.03 g/mol

InChI Key

UDHAWRUAECEBHC-UHFFFAOYSA-N

FDA UNII

G75KCN1AM8

1 2D Structure

CAS 624-31-7

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-iodo-4-methylbenzene

2.1.2 InChI

InChI=1S/C7H7I/c1-6-2-4-7(8)5-3-6/h2-5H,1H3

2.1.3 InChI Key

UDHAWRUAECEBHC-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=CC=C(C=C1)I

2.2 Other Identifiers

2.2.1 UNII

G75KCN1AM8

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 3-iodotoluene

2. M-iodotoluene

3. Meta-iodotoluene

4. O-iodotoluene

5. P-iodotoluene

2.3.2 Depositor-Supplied Synonyms

1. 1-iodo-4-methylbenzene

2. 624-31-7

3. P-iodotoluene

4. Benzene, 1-iodo-4-methyl-

5. P-methyliodobenzene

6. Toluene, P-iodo-

7. P-tolyl Iodide

8. 1-methyl-4-iodobenzene

9. 4-methyliodobenzene

10. 1-iodo-4-methyl-benzene

11. Mfcd00001059

12. G75kcn1am8

13. Nsc-3776

14. Unii-g75kcn1am8

15. P-tolyliodide

16. P-iodo Toluene

17. 4-iodo Toluene

18. 4-iodotoluene?

19. Nsc3776

20. 4-iodophenylmethane

21. Nsc 3776

22. Xqm

23. Einecs 210-841-7

24. 4-methyl-iodobenzene

25. Iodo-4-methylbenzene

26. Para Iodotoluene

27. 4-iodotoluene, 99%

28. Iodotoluene, P-

29. 4-iodo-toluene

30. Ai3-16899

31. P-iodomethylbenzene

32. Schembl158

33. 4-iodomethylbenzene

34. 1-(iodo)-4-methylbenzene

35. P-methylphenyl Iodide

36. 4-methylphenyl Iodide

37. 4-methyl-1-iodobenzene

38. Dtxsid4060785

39. Act13438

40. Zinc1003750

41. Stk122188

42. Akos000495264

43. 1-iodo-4-methylbenzene; P-iodotoluene

44. Am87101

45. Cs-w009210

46. Ac-25936

47. As-11887

48. Bp-21474

49. Sy001711

50. 4-iodotoluene, Purum, >=98.0% (gc)

51. Db-014493

52. Ft-0618806

53. I0218

54. A19670

55. D70830

56. An-329/42288686

57. J-504805

58. Q27278877

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₇H₇I
Molecular Weight	218.03 g/mol
XLogP3	3.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Exact Mass	217.95925 g/mol
Monoisotopic Mass	217.95925 g/mol
Topological Polar Surface Area	0 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	62.8
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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