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Technical details about CAS 677-22-5, learn more about the structure, uses, toxicity, action, side effects and more

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2D Structure
1. Also known as: 677-22-5, T-butylmagnesium chloride, Magnesium;2-methylpropane;chloride, Tert-butylmagnesium chloride, 1.0 m in thf, Tert-butylmagnesium chloride, 1.0 m in 2-methf, Mfcd00000465
Molecular Formula
C4H9ClMg
Molecular Weight
116.87  g/mol
InChI Key
CQRPUKWAZPZXTO-UHFFFAOYSA-M

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
magnesium;2-methylpropane;chloride
2.1.2 InChI
InChI=1S/C4H9.ClH.Mg/c1-4(2)3;;/h1-3H3;1H;/q-1;;+2/p-1
2.1.3 InChI Key
CQRPUKWAZPZXTO-UHFFFAOYSA-M
2.1.4 Canonical SMILES
C[C-](C)C.[Mg+2].[Cl-]
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 677-22-5

2. T-butylmagnesium Chloride

3. Magnesium;2-methylpropane;chloride

4. Tert-butylmagnesium Chloride, 1.0 M In Thf

5. Tert-butylmagnesium Chloride, 1.0 M In 2-methf

6. Mfcd00000465

7. (1,1-dimethylethyl)magnesium Chloride; T-butylmagnesium Chloride; Tert-butylchloromagnesium

8. Magnesium, Chloro(1,1-dimethylethyl)-

9. Tert-butylmagnesiumchloride

10. T-butyl Magnesium Chloride

11. Tbumgcl

12. Tert-bumgcl

13. T-bumgcl

14. Tertbutylmagnesium Chloride

15. Tert-butyl(chloro)magnesium

16. Tert-butyl-magnesium Chloride

17. Tert. Butylmagnesium Chloride

18. Tertiary Butylmagnesiumchloride

19. Schembl114713

20. Tertiary Butylmagnesium Chloride

21. Tertiary-butylmagnesium Chloride

22. Tertiary-butyl-magnesium Chloride

23. Tertiary Butyl Magnesium Chloride

24. Zdrjsyvhdmfhsc-uhfffaoysa-m

25. Akos009159061

26. Tert-butylmagnesium Chloride, 1m In Methf

27. F20329

28. J-802292

29. Tert-butylmagnesium Chloride (in Ethyl Ether, Ca. 2mol/l)

30. T-butyl Magnesium Chloride, 1.5 M In Dibutyl Ether (~21% W/w%)

31. Tert-butylmagnesium Chloride (26% In Ethyl Ether, Ca. 2mol/l)

2.3 Create Date
2005-07-19
3 Chemical and Physical Properties
Molecular Weight 116.87 g/mol
Molecular Formula C4H9ClMg
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area0
Heavy Atom Count6
Formal Charge0
Complexity12.3
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count3
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