CAS 540-37-4

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2 End Use APIs
99 Related Intermediates

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Also known as: 540-37-4, P-iodoaniline, Benzenamine, 4-iodo-, 4-iodobenzenamine, Aniline, p-iodo-, P-aminophenyl iodide

Molecular Formula

C₆H₆IN

Molecular Weight

219.02 g/mol

InChI Key

VLVCDUSVTXIWGW-UHFFFAOYSA-N

FDA UNII

0BMK56397B

1 2D Structure

CAS 540-37-4

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-iodoaniline

2.1.2 InChI

InChI=1S/C6H6IN/c7-5-1-3-6(8)4-2-5/h1-4H,8H2

2.1.3 InChI Key

VLVCDUSVTXIWGW-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC(=CC=C1N)I

2.2 Other Identifiers

2.2.1 UNII

0BMK56397B

2.3 Synonyms

2.3.1 MeSH Synonyms

1. P-iodoaniline

2.3.2 Depositor-Supplied Synonyms

1. 540-37-4

2. P-iodoaniline

3. Benzenamine, 4-iodo-

4. 4-iodobenzenamine

5. Aniline, P-iodo-

6. P-aminophenyl Iodide

7. Aniline, 4-iodo-

8. 4-iodo-aniline

9. 4-iodophenylamine

10. 4-iodobenzeneamine

11. 4-iodo-phenylamine

12. Mfcd00007848

13. 0bmk56397b

14. Nsc-9246

15. 4-iodo-benzenamine

16. Ccris 9122

17. Nsc 9246

18. Einecs 208-743-4

19. Unii-0bmk56397b

20. P-iodo-aniline

21. P-iodo Aniline

22. 4-iodanylaniline

23. 4-iodoaniline?

24. (4-iodophenyl)-amine

25. Para-amino-iodo-benzene

26. 4-iodoaniline, 98%

27. Iodoaniline, P-

28. P-aminoiodobenzene

29. 1-amino-4-iodo-benzene

30. Wln: Zr Di

31. P-iodoaniline [mi]

32. Schembl25837

33. Chembl41790

34. Dtxsid9060239

35. Vlvcdusvtxiwgw-uhfffaoysa-

36. Zinc13615

37. 2-hydroxy-3-phenyl Propiophenone

38. Nsc9246

39. Act00167

40. Bcp23259

41. Stk358767

42. Akos000119850

43. Ac-5104

44. Cs-w008946

45. Ps-5431

46. Bp-20434

47. Sy013885

48. 4-iodoaniline, Purum, >=97.0% (nt)

49. Db-014488

50. A7856

51. Am20040674

52. Ft-0618776

53. I0048

54. D70848

55. Ab01003215-01

56. A829920

57. Q-103463

58. Q27236574

59. F0001-1412

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₆H₆IN
Molecular Weight	219.02 g/mol
XLogP3	2.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	218.95450 g/mol
Monoisotopic Mass	218.95450 g/mol
Topological Polar Surface Area	26 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	66.9
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