CAS 823-96-1

DRL offers a portfolio of products & services, including APIs, CMO services, generics, biosimilars & differentiated formulations.

Virtual Booth

Contact Supplier

Valsynthese, part of the SSE Group, is a CDMO focused on highly energetic and highly hazardous chemistry.

CHEMISTRY

Discover Molecule Insights

Chemistry

Click the arrow to open the dropdown

Click the button for full data set

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

CAS 823-96-1 manufacturers and suppliers on PharmaCompass

CHEMISTRY

Discover Molecule Insights

What are you looking for?