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Also known as: 4-bromofluorobenzene, 460-00-4, 4-fluorobromobenzene, P-bromofluorobenzene, P-fluorobromobenzene, Benzene, 1-bromo-4-fluoro-
Molecular Formula
C6H4BrF
Molecular Weight
175.00  g/mol
InChI Key
AITNMTXHTIIIBB-UHFFFAOYSA-N
FDA UNII
A7ZH69I3KH

CAS 460-00-4
1 2D Structure

CAS 460-00-4

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-bromo-4-fluorobenzene
2.1.2 InChI
InChI=1S/C6H4BrF/c7-5-1-3-6(8)4-2-5/h1-4H
2.1.3 InChI Key
AITNMTXHTIIIBB-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC(=CC=C1F)Br
2.2 Other Identifiers
2.2.1 UNII
A7ZH69I3KH
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 4-bromofluorobenzene

2. 460-00-4

3. 4-fluorobromobenzene

4. P-bromofluorobenzene

5. P-fluorobromobenzene

6. Benzene, 1-bromo-4-fluoro-

7. 4-fluorophenyl Bromide

8. 1-fluoro-4-bromobenzene

9. 4-fluoro-1-bromobenzene

10. P-fluorophenyl Bromide

11. 4-bromo-1-fluorobenzene

12. 1-bromo-4-fluoro Benzene

13. Nsc 10268

14. 4-fluoro Bromobenzene

15. A7zh69i3kh

16. 1-bromanyl-4-fluoranyl-benzene

17. Nsc-9460

18. Nsc-10268

19. Dsstox_cid_7153

20. Bromo Fluorobenzene

21. Dsstox_rid_78327

22. Dsstox_gsid_27153

23. 4-fluorobromobenzene;p-bromofluorobenzene;4-bromofluorobenzene

24. Cas-460-00-4

25. Einecs 207-300-2

26. Mfcd00000342

27. 1-bromo-4-fluoro-benzene

28. Unii-a7zh69i3kh

29. Ccris 9387

30. P-bromoflurobenzene

31. Parabromofluorobezene

32. P-bromo-fluorobenzene

33. 4-bromo Flourobenzene

34. 4-bromo-fluorobenzene

35. 4-fluoro-bromobenzene

36. 1-bromo4-fluorobenzene

37. 4-bromo-fluoro-benzene

38. 1-bromo-4-fluorbenzene

39. 4-fluoro-phenyl-bromide

40. 1-bromo-4-flurobenzene

41. 1-bromo- 4-fluorobenzene

42. 4-bromo-1-fluoro Benzene

43. Ec 207-300-2

44. Schembl1622

45. P-bromophenyl Fluoride

46. 4-bromophenyl Fluoride

47. 4-fluorobenzene Bromide

48. Chembl1876826

49. Dtxsid4027153

50. 1-bromo-4-fluorobenzene, 99%

51. Nsc9460

52. Chebi:141551

53. Zinc402617

54. Bcp24440

55. Cs-d1104

56. Nsc10268

57. Tox21_201379

58. Tox21_303305

59. Akos000120007

60. Am10649

61. 4-bromofluorobenzene, Analytical Standard

62. Ncgc00164249-01

63. Ncgc00164249-02

64. Ncgc00257136-01

65. Ncgc00258930-01

66. Bp-21440

67. Ps-11962

68. B0884

69. Ft-0617889

70. 4-bromofluorobenzene 10 Microg/ml In Methanol

71. D84750

72. 4-bromofluorobenzene 2000 Microg/ml In Methanol

73. J-514816

74. Q18049954

75. 4-bromofluorobenzene (bfb) 2000 Microg/ml In Methanol

76. 4-bromofluorobenzene (bfb) 2500 Microg/ml In Methanol

77. F0001-1247

78. 4-bromofluorobenzene (bfb) 10000 Microg/ml In Methanol

79. Y87

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 175.00 g/mol
Molecular Formula C6H4BrF
XLogP33.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass173.94804 g/mol
Monoisotopic Mass173.94804 g/mol
Topological Polar Surface Area0 Ų
Heavy Atom Count8
Formal Charge0
Complexity66.9
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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