CAS 108-36-1

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Also known as: 108-36-1, M-dibromobenzene, Benzene, 1,3-dibromo-, Benzene, m-dibromo-, 1,3-dibromo-benzene, 74ef6kh8tc

Molecular Formula

C₆H₄Br₂

Molecular Weight

235.90 g/mol

InChI Key

JSRLURSZEMLAFO-UHFFFAOYSA-N

FDA UNII

74EF6KH8TC

1 2D Structure

CAS 108-36-1

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1,3-dibromobenzene

2.1.2 InChI

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

2.1.3 InChI Key

JSRLURSZEMLAFO-UHFFFAOYSA-N

2.1.4 Canonical SMILES

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

2.2 Other Identifiers

2.2.1 UNII

74EF6KH8TC

2.3 Synonyms

2.3.1 MeSH Synonyms

1. M-dibromobenzene

2. Meta-dibromobenzene

2.3.2 Depositor-Supplied Synonyms

1. 108-36-1

2. M-dibromobenzene

3. Benzene, 1,3-dibromo-

4. Benzene, M-dibromo-

5. 1,3-dibromo-benzene

6. 74ef6kh8tc

7. Einecs 203-574-2

8. Unii-74ef6kh8tc

9. 1,3-dibromo Benzene

10. 3,5-dibromobenzene

11. Mfcd00000078

12. 1,3-dibrormobenzene

13. 1, 3-dibromobenzene

14. 1.3-dibromo-benzene

15. 1,3-bis(bromanyl)benzene

16. Schembl5000

17. 1-bromo-3-bromobenzene

18. Dtxsid7051555

19. Chebi:37151

20. Zinc388499

21. Act03347

22. Str07103

23. Akos009158712

24. Am84332

25. Cs-w008980

26. Bp-21249

27. Db-040827

28. D0169

29. Ft-0606628

30. D70875

31. A801864

32. 1,3-dibromobenzene, Vetec(tm) Reagent Grade, 97%

33. W-108722

34. Q27117049

2.4 Create Date

2005-03-27

3 Chemical and Physical Properties

Molecular Formula	C₆H₄Br₂
Molecular Weight	235.90 g/mol
XLogP3	3.8
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	64.9
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