CAS 583-53-9

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Also known as: 583-53-9, O-dibromobenzene, Dibromobenzene, Benzene, 1,2-dibromo-, Benzene, o-dibromo-, Ortho-dibromobenzene

Molecular Formula

C₆H₄Br₂

Molecular Weight

235.90 g/mol

InChI Key

WQONPSCCEXUXTQ-UHFFFAOYSA-N

FDA UNII

52K9W7U6EH

1 2D Structure

CAS 583-53-9

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1,2-dibromobenzene

2.1.2 InChI

InChI=1S/C6H4Br2/c7-5-3-1-2-4-6(5)8/h1-4H

2.1.3 InChI Key

WQONPSCCEXUXTQ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

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

2.2 Other Identifiers

2.2.1 UNII

52K9W7U6EH

2.3 Synonyms

2.3.1 MeSH Synonyms

1. O-dibromobenzene

2. Ortho-dibromobenzene

2.3.2 Depositor-Supplied Synonyms

1. 583-53-9

2. O-dibromobenzene

3. Dibromobenzene

4. Benzene, 1,2-dibromo-

5. Benzene, O-dibromo-

6. Ortho-dibromobenzene

7. 26249-12-7

8. 1,2-dibromo-benzene

9. 52k9w7u6eh

10. Chebi:37152

11. Nsc-60643

12. Benzene, Dibromo-

13. Einecs 209-507-3

14. Einecs 247-544-7

15. Nsc 60643

16. Un2711

17. Unii-52k9w7u6eh

18. Unii-q5l1s3j96a

19. Dibromobenzene (mixed Isomers)

20. Ai3-10009

21. 1,2 Dibromobenzene

22. 1,6-dibromobenzene

23. Benzene,2-dibromo-

24. Mfcd00000057

25. 1,2-dibromobenzene?

26. 1,2-dibromo Benzene

27. 1,2-bis(bromanyl)benzene

28. Schembl29314

29. 1,2-dibromobenzene, 98%

30. Benzene,1,2-dibromo

31. Q5l1s3j96a

32. Chembl1797135

33. Dtxsid0022064

34. Zinc388498

35. Act07584

36. Nsc60643

37. Akos000121579

38. Am87079

39. As-12663

40. Bp-13423

41. Db-003850

42. D0168

43. Ft-0647776

44. 1,2-dibromobenzene, Purum, >=97.0% (gc)

45. Dibromobenzene [un2711] [flammable Liquid]

46. A831844

47. J-503806

48. Q27117050

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₆H₄Br₂
Molecular Weight	235.90 g/mol
XLogP3	3.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Exact Mass	235.86593 g/mol
Monoisotopic Mass	233.86798 g/mol
Topological Polar Surface Area	0 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	62.9
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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