1-bromo-4-phenyl-benzene

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Also known as: 92-66-0, 4-bromo-1,1'-biphenyl, P-bromobiphenyl, 1-bromo-4-phenylbenzene, 4-bromodiphenyl, P-bromodiphenyl

Molecular Formula

C₁₂H₉Br

Molecular Weight

233.10 g/mol

InChI Key

PKJBWOWQJHHAHG-UHFFFAOYSA-N

FDA UNII

OE77OKH5BL

1 2D Structure

CAS 92-66-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-bromo-4-phenylbenzene

2.1.2 InChI

InChI=1S/C12H9Br/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H

2.1.3 InChI Key

PKJBWOWQJHHAHG-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)Br

2.2 Other Identifiers

2.2.1 UNII

OE77OKH5BL

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 92-66-0

2. 4-bromo-1,1'-biphenyl

3. P-bromobiphenyl

4. 1-bromo-4-phenylbenzene

5. 4-bromodiphenyl

6. P-bromodiphenyl

7. 1,1'-biphenyl, 4-bromo-

8. 4-biphenyl Bromide

9. P-phenylbromobenzene

10. Biphenyl, 4-bromo-

11. 4-(4'-bromophenyl)benzene

12. 4-bromo-biphenyl

13. P-biphenylyl Bromide

14. 4-biphenylyl Bromide

15. P-phenylphenyl Bromide

16. (4-bromophenyl)benzene

17. 1-bromo-4-phenyl-benzene

18. 4-bromo Biphenyl

19. 4'-bromobiphenyl

20. Oe77okh5bl

21. Mls002152887

22. 4-brombiphenyl

23. Nsc-406933

24. Smr001224499

25. Pbb 3 (4-bromobiphenyl)

26. Bromobiphenyl(4-)

27. Ccris 5890

28. Einecs 202-176-6

29. Unii-oe77okh5bl

30. Nsc 406933

31. 4-bromobipheny

32. Ai3-08855

33. 4-brom-biphenyl

34. 4-biphenylbromide

35. P-mono-bromobiphenyl

36. Mfcd00000100

37. 4-bromobiphenyl, 98%

38. Dsstox_cid_4640

39. Bromobiphenyl, 4-

40. 4-phenylbromobenzene

41. Cid_7101

42. Pbb No. 3

43. Schembl4691

44. Dsstox_rid_77479

45. Pbb 3

46. 1-bromanyl-4-phenyl-benzene

47. Dsstox_gsid_24640

48. Chembl1399688

49. Dtxsid4024640

50. Bdbm74259

51. Zinc967435

52. Act08099

53. Cs-d1553

54. Tox21_200254

55. Cx1307

56. Nsc406933

57. Stk050421

58. Akos000202545

59. Ol10146

60. Ps-7682

61. Cas-92-66-0

62. Ncgc00091652-01

63. Ncgc00091652-02

64. Ncgc00257808-01

65. Ac-10043

66. Pbb-no. 3 10 Microg/ml In Cyclohexane

67. 4-bromobiphenyl, Technical, >=90% (gc)

68. Db-014961

69. Am20041411

70. Ft-0617875

71. En300-91508

72. 92b660

73. A844301

74. Ag-219/25001498

75. Q-200446

76. Q27285606

77. Z57073675

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₂H₉Br
Molecular Weight	233.10 g/mol
XLogP3	4.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	1
Exact Mass	231.98876 g/mol
Monoisotopic Mass	231.98876 g/mol
Topological Polar Surface Area	0 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	141
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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