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Also known as: 693-04-9, Magnesium, butylchloro-, Bumgcl, N-butylmagnesiumchloride, N-butylmagnesium chloride, 1.0 m in thf, Butylmagnesium chloride (23% in tetrahydrofuran, ca. 2mol/l)
Molecular Formula
C4H9ClMg
Molecular Weight
116.87  g/mol
InChI Key
QUXHCILOWRXCEO-UHFFFAOYSA-M

693-04-9
1 2D Structure

693-04-9

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
magnesium;butane;chloride
2.1.2 InChI
InChI=1S/C4H9.ClH.Mg/c1-3-4-2;;/h1,3-4H2,2H3;1H;/q-1;;+2/p-1
2.1.3 InChI Key
QUXHCILOWRXCEO-UHFFFAOYSA-M
2.1.4 Canonical SMILES
CCC[CH2-].[Mg+2].[Cl-]
2.2 Synonyms
2.2.1 MeSH Synonyms

1. Bumgcl

2.2.2 Depositor-Supplied Synonyms

1. 693-04-9

2. Magnesium, Butylchloro-

3. Bumgcl

4. N-butylmagnesiumchloride

5. N-butylmagnesium Chloride, 1.0 M In Thf

6. Butylmagnesium Chloride (23% In Tetrahydrofuran, Ca. 2mol/l)

7. N-butylmagnesium Chloride

8. Nbumgcl

9. Butylchloromagnesium; Butylmagnesiumm Chloride; N-butylmagnesium Chloride

10. Butylmagnesiumchloride

11. Einecs 211-739-5

12. Unii-4j83fgw852

13. N-bumgcl

14. Mfcd00000475

15. Butyl Magnesium Chloride

16. Butyl-magnesium Chloride

17. N-butyl Magnesium Chloride

18. 1-butyl Magnesium Chloride

19. Ec 211-739-5

20. Schembl5340

21. Dtxsid0074924

22. Uungxyvlxygzkh-uhfffaoysa-m

23. 4j83fgw852

24. Ethyl-4,4,4-trifluoroaceto Acetate

25. Akos015915256

26. N-butylmagnesium Chloride, 1.5-3.0m In Thf

27. J-802168

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 Count1
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area0
Heavy Atom Count6
Formal Charge0
Complexity11.5
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count3

BUILDING BLOCK

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