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Also known as: 589-87-7, 4-bromoiodobenzene, Benzene, 1-bromo-4-iodo-, P-bromoiodobenzene, P-iodobromobenzene, 4-bromo-1-iodobenzene

Molecular Formula

C₆H₄BrI

Molecular Weight

282.90 g/mol

InChI Key

UCCUXODGPMAHRL-UHFFFAOYSA-N

FDA UNII

R9LDG2XS7C

1 2D Structure

CAS 589-87-7

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-bromo-4-iodobenzene

2.1.2 InChI

InChI=1S/C6H4BrI/c7-5-1-3-6(8)4-2-5/h1-4H

2.1.3 InChI Key

UCCUXODGPMAHRL-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC(=CC=C1Br)I

2.2 Other Identifiers

2.2.1 UNII

R9LDG2XS7C

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 589-87-7

2. 4-bromoiodobenzene

3. Benzene, 1-bromo-4-iodo-

4. P-bromoiodobenzene

5. P-iodobromobenzene

6. 4-bromo-1-iodobenzene

7. P-bromophenyl Iodide

8. 4-iodobromobenzene

9. 1-bromo-4-iodo-benzene

10. 4-bromophenyl Iodide

11. 4-iodo-1-bromobenzene

12. Mfcd00001051

13. R9ldg2xs7c

14. Nsc-8033

15. Nsc8033

16. P-bromo Iodobenzene

17. Nsc 8033

18. 4-bromo Iodobenzene

19. 4-bromo-iodobenzene

20. 4-iodo Bromobenzene

21. 4-iodo-bromobenzene

22. Einecs 209-662-7

23. Para-bromoiodobenzene

24. 4-bromo-iodo-benzene

25. 1-bromo-4-iodobezene

26. 1-iodo-4-brombenzene

27. 1-iodo-4-bromobenzene

28. Ai3-09032

29. 1-bromo-4-iodo Benzene

30. 1-iodo-4-bromo-benzene

31. 4-bromo-1-iodo-benzene

32. 1-bromo-4-iodobenzene?

33. Unii-r9ldg2xs7c

34. Schembl24146

35. 1-bromanyl-4-iodanyl-benzene

36. 1-bromo-4-iodobenzene-[d4]

37. 1-bromo-4-iodobenzene, 98%

38. Dtxsid5060433

39. 1-bromo-4-iodobenzene-[13c6]

40. Zinc404761

41. Act05996

42. Ac-174

43. 1-bromo-4-iodo(?h?)benzene

44. Akos000185502

45. Cs-w008977

46. Gs-3007

47. Ol10130

48. Bp-13428

49. Sy005124

50. Db-027383

51. Am20040789

52. B0604

53. Bb 0268019

54. Ft-0617892

55. 589b877

56. A832097

57. J-504447

58. Z1695906764

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₆H₄BrI
Molecular Weight	282.90 g/mol
XLogP3	4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Exact Mass	281.85411 g/mol
Monoisotopic Mass	281.85411 g/mol
Topological Polar Surface Area	0 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

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