CAS 460-00-4

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11 End Use APIs
62 Related Intermediates

Chemistry

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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

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 Formula	C₆H₄BrF
Molecular Weight	175.00 g/mol
XLogP3	3.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	173.94804 g/mol
Monoisotopic Mass	173.94804 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