CAS 677-22-5

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1 End Use APIs
38 Related Intermediates

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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

CAS 677-22-5

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 Formula	C₄H₉ClMg
Molecular Weight	116.87 g/mol
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	0
Heavy Atom Count	6
Formal Charge	0
Complexity	12.3
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	3