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2D Structure
Also known as: 106-37-6, P-dibromobenzene, Benzene, 1,4-dibromo-, P-bromophenyl bromide, Benzene, p-dibromo-, 1,4-dibromo benzene
Molecular Formula
C6H4Br2
Molecular Weight
235.90  g/mol
InChI Key
SWJPEBQEEAHIGZ-UHFFFAOYSA-N
FDA UNII
9991W3M5HZ

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1,4-dibromobenzene
2.1.2 InChI
InChI=1S/C6H4Br2/c7-5-1-2-6(8)4-3-5/h1-4H
2.1.3 InChI Key
SWJPEBQEEAHIGZ-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC(=CC=C1Br)Br
2.2 Other Identifiers
2.2.1 UNII
9991W3M5HZ
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 106-37-6

2. P-dibromobenzene

3. Benzene, 1,4-dibromo-

4. P-bromophenyl Bromide

5. Benzene, P-dibromo-

6. 1,4-dibromo Benzene

7. 1,4-dibromo-benzene

8. Chembl195407

9. Chebi:37150

10. 9991w3m5hz

11. Benzene, 1,4-dibromo-, Homopolymer

12. Nsc-33942

13. P-benzene Dibromide

14. Dsstox_cid_4012

15. Dsstox_rid_77257

16. Dsstox_gsid_24012

17. 27815-07-2

18. Dibromobenzene, 1,4-

19. Cas-106-37-6

20. Hsdb 2734

21. Einecs 203-390-2

22. Mfcd00000089

23. Nsc 33942

24. Unii-9991w3m5hz

25. Ai3-09077

26. P-dibromo Benzene

27. 1,4dibromobenzene

28. Nsc33942

29. P-bromophenylbromide

30. 1,4 Dibromobenzene

31. 1.4-dibromobenzene

32. 2,5-dibromobenzene

33. Benzene,4-dibromo-

34. Cbz-s-phenyl-d-cys

35. Schembl18508

36. 1,4-dibromobenzene, 98%

37. P-dibromobenzene [mi]

38. P-dibromobenzene [hsdb]

39. Dtxsid4024012

40. Zinc388500

41. Act03271

42. Amy25517

43. Bcp25859

44. Str05757

45. Tox21_201288

46. Tox21_303156

47. Bdbm50159245

48. Stl283947

49. Akos000119954

50. Ncgc00163984-01

51. Ncgc00163984-02

52. Ncgc00257201-01

53. Ncgc00258840-01

54. Bp-10917

55. Cs-0000003

56. D0170

57. D0297

58. Ft-0606853

59. 1,4-dibromobenzene, Purum, >=97.0% (gc)

60. J-503983

61. Q4545692

62. F0001-0117

63. Z1262254394

64. 1,4-dibromobenzene Para-dibromobenzene P-benzene Dibromide P-dibromobenzene 1,4-dibrombenzol

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 235.90 g/mol
Molecular Formula C6H4Br2
XLogP33.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Exact Mass235.86593 g/mol
Monoisotopic Mass233.86798 g/mol
Topological Polar Surface Area0 Ų
Heavy Atom Count8
Formal Charge0
Complexity54.9
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
4 Pharmacology and Biochemistry
4.1 Metabolism/Metabolites

FOLLOWING IP ADMIN OF P-DIBROMOBENZENE TO RABBITS, BOTH 2,4- & 2,5-DIBROMO PHENOL WERE RECOVERED IN THE URINE SUGGESTING THE FORMATION OF AN ARENE OXIDE AS AN INTERMEDIARY METABOLITE.

PMID:1254808 RUZO L ET AL; J AGRIC FOOD CHEM 24 (2): 291-3 (1976)


FOLLOWING IP ADMIN OF P-DIBROMOBENZENE TO PIGS, BOTH 2,4- & 2,5-DIBROMOPHENOL WERE RECOVERED IN THE URINE SUGGESTING THE FORMATION OF AN ARENE OXIDE AS AN INTERMEDIARY METABOLITE.

KOHLI J AND SAFE S; CHEMOSPHERE 5 (6): 433-7 (1976)