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693-03-8

Basic Information
CAS No.: 693-03-8
Name: N-BUTYLMAGNESIUM BROMIDE
Article Data: 24
Molecular Structure:
Molecular Structure of 693-03-8 (N-BUTYLMAGNESIUM BROMIDE)
Formula: C4H9BrMg
Molecular Weight: 161.324
Synonyms: Butylmagnesiumbromide (6CI);1-Butylmagnesium bromide;Bromobutylmagnesium;n-Butylmagnesiumbromide;
EINECS: 211-737-4
Melting Point: 80.5-81 °C
Boiling Point: 128-131 °C(Press: 0.2 Torr)
PSA: 0.00000
LogP: 2.59970
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Specification

This chemical is called Magnesium, bromobutyl-, and its systematic name is Bromobutylmagnesium. With the molecular formula of C4H9BrMg, its molecular weight is 161.32. The CAS registry number of this chemical is 693-03-8.

Other characteristics of the Magnesium, bromobutyl- can be summarised as followings: (1)H-Bond Donor: 0; (2)H-Bond Acceptor: 2; (3)Rotatable Bond Count: 1; (4)Exact Mass: 159.973805; (5)MonoIsotopic Mass: 159.973805; (6)Topological Polar Surface Area: 0; (7)Heavy Atom Count: 6; (8)Formal Charge: 0; (9)Complexity: 11.5; (10)Covalently-Bonded Unit Count: 3.

Uses of this chemical: The Magnesium, bromobutyl- could react with furfural, and obtain the 1-furan-2-yl-pentan-1-ol. This reaction needs the solvent of diethyl ether. The yield is 80 %. In addition, this reaction should be taken for 1 hours.

The Magnesium, bromobutyl- could react with furfural, and obtain the 1-furan-2-yl-pentan-1-ol

You can still convert the following datas into molecular structure: 
1.SMILES: Br[Mg]CCCC
2.InChI: InChI=1/C4H9.BrH.Mg/c1-3-4-2;;/h1,3-4H2,2H3;1H;/q;;+1/p-1/rC4H9BrMg/c1-2-3-4-6-5/h2-4H2,1H3
3.InChIKey: OKULOIZBIQQWSM-HFAMULEAAX