CAS 22385-77-9

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Also known as: 22385-77-9, 3,5-di-tert-butylbromobenzene, 1-bromo-3,5-di-t-butylbenzene, 3,5-di-t-butylbromobenzene, 1-bromo-3,5-ditert-butylbenzene, Benzene, 1-bromo-3,5-bis(1,1-dimethylethyl)-

Molecular Formula

C₁₄H₂₁Br

Molecular Weight

269.22 g/mol

InChI Key

BUOWTUULDKULFI-UHFFFAOYSA-N

1 2D Structure

CAS 22385-77-9

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-bromo-3,5-ditert-butylbenzene

2.1.2 InChI

InChI=1S/C14H21Br/c1-13(2,3)10-7-11(14(4,5)6)9-12(15)8-10/h7-9H,1-6H3

2.1.3 InChI Key

BUOWTUULDKULFI-UHFFFAOYSA-N

2.1.4 Canonical SMILES

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

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 22385-77-9

2. 3,5-di-tert-butylbromobenzene

3. 1-bromo-3,5-di-t-butylbenzene

4. 3,5-di-t-butylbromobenzene

5. 1-bromo-3,5-ditert-butylbenzene

6. Benzene, 1-bromo-3,5-bis(1,1-dimethylethyl)-

7. Mfcd00796945

8. 1-bromo-3,5-(ditert-butyl)benzene

9. 3,5-di-t-butyl-bromobenzene

10. Bromo-3,5-di-t-butylbenzene

11. Schembl190968

12. Bromo-3,5-di-tert-butylbenzene

13. 1-bromo-3.5-di-t-butylbenzene

14. 1-bromo-3,5-di-tertbutylbenzene

15. 1-bromo-3.5-di-tertbutylbenzene

16. 3,5-di-tert-butylphenyl Bromide

17. Dtxsid00347326

18. 1-bromo-3,5-di-t-butyl Benzene

19. 1-bromo-3,5-di-tert-butybenzene

20. Act09691

21. Zinc2569459

22. 1-bromo-3,5-ditert-butylbenzene #

23. Cl8620

24. 1,3-bis(tert-butyl)-5-bromobenzene

25. Akos005258930

26. Cs-w012400

27. Ac-23642

28. As-15532

29. Sy014472

30. Sy292051

31. 1-bromo-3,5-di-tert-butylbenzene, 97%

32. Db-011124

33. A4810

34. Am20030382

35. B3547

36. Ft-0607476

37. 385b779

38. J-511376

39. Q63392199

40. 1-bromo-3,5-di-tert-butylbenzene;3,5-di-tert-butylbromobenzene

2.3 Create Date

2005-03-27

3 Chemical and Physical Properties

Molecular Formula	C₁₄H₂₁Br
Molecular Weight	269.22 g/mol
XLogP3	6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	2
Exact Mass	268.08266 g/mol
Monoisotopic Mass	268.08266 g/mol
Topological Polar Surface Area	0 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	184
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