CAS 823-96-1

Chemistry

Chemistry

Also known as: 823-96-1, Trimethylboroxin, 2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane, 2,4,6-trimethylboroxin, Boroxin, trimethyl-, Trimethylboroxine 50% w/w soln. in thf

Molecular Formula

C₃H₉B₃O₃

Molecular Weight

125.5 g/mol

InChI Key

GBBSAMQTQCPOBF-UHFFFAOYSA-N

1 2D Structure

CAS 823-96-1

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane

2.1.2 InChI

InChI=1S/C3H9B3O3/c1-4-7-5(2)9-6(3)8-4/h1-3H3

2.1.3 InChI Key

GBBSAMQTQCPOBF-UHFFFAOYSA-N

2.1.4 Canonical SMILES

B1(OB(OB(O1)C)C)C

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 823-96-1

2. Trimethylboroxin

3. 2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane

4. 2,4,6-trimethylboroxin

5. Boroxin, Trimethyl-

6. Trimethylboroxine 50% W/w Soln. In Thf

7. Mfcd00013354

8. Trimethylboroxine (w/w 50% Solution In Thf)

9. 2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane; 2,4,6-trimethylboroxine; Methaneboronic Anhydride

10. Trimethyboroxine

11. Trimethyl Boroxin

12. Trimethylboroxaine

13. Trimethyl Boroxine

14. Trimethyl-boroxine

15. Trimethylboroxine, 99%

16. 2,4,6-trimethylboroxine

17. 2,4,6-trimethyl-boroxin

18. 2,4,6-trimethylboroxin #

19. Schembl28307

20. Dtxsid90341570

21. 2,4,6-trimethyl-cyclotriboroxane

22. Amy14910

23. Bcp12493

24. Akos015840980

25. Zinc169743145

26. As-47572

27. Trimethylboroxine (50% Solution In Thf)

28. Trimethyl-1,3,5,2,4,6-trioxatriborinane

29. Db-056606

30. Ft-0632990

31. T3810

32. Trimethylboroxine, 50% W/w Solution In Thf

33. F14364

34. Trimethylboroxine (ca. 50% In Tetrahydrofuran)

35. Q-101084

36. Q15829729

37. 2,4,6-trimethylboroxin 50 Wt.% Solution In Dimethyl Sulfide, Spcseal

38. Carbamicacid,[(1r)-1-(hydroxymethyl)-2-propynyl]-,1,1-dimethylethylester

39. 2114129-19-8

2.3 Create Date

2005-03-27

3 Chemical and Physical Properties

Molecular Formula	C₃H₉B₃O₃
Molecular Weight	125.5 g/mol
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	126.0830846 g/mol
Monoisotopic Mass	126.0830846 g/mol
Topological Polar Surface Area	27.7 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	69.3
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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