CAS 615-43-0

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3 End Use APIs
33 Related Intermediates

Chemistry

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Also known as: 615-43-0, O-iodoaniline, 2-iodobenzenamine, Benzenamine, 2-iodo-, 2-iodo aniline, O-aminoiodobenzene

Molecular Formula

C₆H₆IN

Molecular Weight

219.02 g/mol

InChI Key

UBPDKIDWEADHPP-UHFFFAOYSA-N

1 2D Structure

CAS 615-43-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-iodoaniline

2.1.2 InChI

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

2.1.3 InChI Key

UBPDKIDWEADHPP-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC=C(C(=C1)N)I

2.2 Synonyms

2.2.1 MeSH Synonyms

1. 2-iodobenzenamine

2.2.2 Depositor-Supplied Synonyms

1. 615-43-0

2. O-iodoaniline

3. 2-iodobenzenamine

4. Benzenamine, 2-iodo-

5. 2-iodo Aniline

6. O-aminoiodobenzene

7. Aniline, O-iodo-

8. Aniline, 2-iodo-

9. Benzenamine, Iodo-

10. Mfcd00007680

11. 2-iodo-phenylamine

12. Nsc34544

13. Nsc 34544

14. Nsc-34544

15. 2-iodaniline

16. 2-iodo-aniline

17. O-iodophenyl Amine

18. Einecs 210-426-0

19. 2-iodoaniline, 98%

20. Ai3-00493

21. Schembl74028

22. Dtxsid5060649

23. Zinc157582

24. Act07811

25. Bbl011389

26. Stl146491

27. Akos000119174

28. Nsc34544nsc 34544

29. O-iodoaniline; 1-amino-2-iodobenzene

30. Ac-1253

31. Cs-w007318

32. Hy-w007318

33. Ps-4064

34. Sy005096

35. 2-iodoaniline, Purum, >=98.0% (gc)

36. Db-006169

37. Am20040864

38. Ft-0601338

39. I0046

40. 15i430

41. A19769

42. Ah-034/32850056

43. J-802087

44. W-105136

45. F3284-8050

46. Z219997432

2.3 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	74.9
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