CAS 4286-55-9

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CHEMISTRY

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BUILDING BLOCK

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1 End Use APIs
10 Related Intermediates

Chemistry

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Also known as: 4286-55-9, 6-bromohexan-1-ol, 6-bromohexanol, 1-hexanol, 6-bromo-, Hexamethylene bromohydrin, 6-bromo-hexan-1-ol

Molecular Formula

C₆H₁₃BrO

Molecular Weight

181.07 g/mol

InChI Key

FCMCSZXRVWDVAW-UHFFFAOYSA-N

FDA UNII

3U3A1ZLY0T

1 2D Structure

CAS 4286-55-9

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

6-bromohexan-1-ol

2.1.2 InChI

InChI=1S/C6H13BrO/c7-5-3-1-2-4-6-8/h8H,1-6H2

2.1.3 InChI Key

FCMCSZXRVWDVAW-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C(CCCBr)CCO

2.2 Other Identifiers

2.2.1 UNII

3U3A1ZLY0T

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 4286-55-9

2. 6-bromohexan-1-ol

3. 6-bromohexanol

4. 1-hexanol, 6-bromo-

5. Hexamethylene Bromohydrin

6. 6-bromo-hexan-1-ol

7. 6-hydroxyhexyl Bromide

8. Mfcd00002983

9. 3u3a1zly0t

10. 6-bromo-hexanol

11. 6-bromo-l-hexanol

12. 1-bromo-6-hexanol

13. 1-bromohexan-6-ol

14. 6-bromo- 1-hexanol

15. 6-bromo- 1 -hexanol

16. Unii-3u3a1zly0t

17. Schembl34356

18. 6-bromo-1-hexanol, 97%

19. Ethyl (4-fluorobenzoyl)formate

20. Chembl1231334

21. Dtxsid2063397

22. Fcmcszxrvwdvaw-uhfffaoysa-

23. Amy2822

24. 6-bromo-1-hexanol (high Purity)

25. Act07073

26. Zinc2242705

27. Bbl103898

28. Stl557708

29. Akos007930799

30. Cs-w017171

31. Db04637

32. Ds-4962

33. Bp-31084

34. Sy017128

35. Db-007123

36. Ft-0600391

37. 286b559

38. A826039

39. J-640342

40. J-650298

41. J-800345

42. J-802158

43. Q27095373

44. 5,6-dichloro-n-(4-chloro-6-methyl-pyrimidin-2-yl)-1h-benzimidazol-2-amine;6-bromo-1-hexanol

2.4 Create Date

2005-03-27

3 Chemical and Physical Properties

Molecular Formula	C₆H₁₃BrO
Molecular Weight	181.07 g/mol
XLogP3	1.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	5
Exact Mass	180.01498 g/mol
Monoisotopic Mass	180.01498 g/mol
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	39.5
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