CAS 1611-92-3

Chemistry

Chemistry

Also known as: 1611-92-3, 1,3-dibromo-5-methylbenzene, Benzene, 1,3-dibromo-5-methyl-, Toluene, 3,5-dibromo-, Mfcd00013528, 3 ,5-dibromotoluene

Molecular Formula

C₇H₆Br₂

Molecular Weight

249.93 g/mol

InChI Key

DPKKOVGCHDUSAI-UHFFFAOYSA-N

1 2D Structure

CAS 1611-92-3

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1,3-dibromo-5-methylbenzene

2.1.2 InChI

InChI=1S/C7H6Br2/c1-5-2-6(8)4-7(9)3-5/h2-4H,1H3

2.1.3 InChI Key

DPKKOVGCHDUSAI-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=CC(=CC(=C1)Br)Br

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1611-92-3

2. 1,3-dibromo-5-methylbenzene

3. Benzene, 1,3-dibromo-5-methyl-

4. Toluene, 3,5-dibromo-

5. Mfcd00013528

6. 3 ,5-dibromotoluene

7. 1,3-dibromo-5-methyl-benzene

8. 3,5-dibromtoluol

9. Nsc87347

10. 3,5-dibromo-toluene

11. Nciopen2_005408

12. 3,5-dibromotoluene, 97%

13. Benzene,3-dibromo-5-methyl-

14. Schembl156099

15. 1,3 Dibromo -5-methyl Benzene

16. Dtxsid80167064

17. Hms1662k01

18. Zinc138007

19. Act04239

20. Bcp30602

21. Ccg-40601

22. Ck2342

23. Nsc 87347

24. Nsc-87347

25. Akos005257027

26. Cs-w012650

27. Ps-7488

28. Ac-25932

29. Sy016909

30. Db-023763

31. Am20030083

32. D3376

33. Ft-0658248

34. A19663

35. A833301

36. Sr-01000630730-1

37. F0001-0577

38. 1,3-dibromo-5-methyl-benzene;1,4-dibromo-2-methylbenzene

39. Toluene, 3,5-dibromo-;1,3-dibromo-5-methylbenzene Pound>>benzene, 1,3-dibromo-5-methyl-

2.3 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₇H₆Br₂
Molecular Weight	249.93 g/mol
XLogP3	3.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Exact Mass	249.88158 g/mol
Monoisotopic Mass	247.88363 g/mol
Topological Polar Surface Area	0 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	82.9
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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CAS 1611-92-3

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