Boron trifluoride ethyl etherate

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CAS Number

109-63-7

Chemical Information

Boron trifluoride etherate

Boron trifluoride etherate is an organoboron compound. It has a role as a NMR chemical shift reference compound.

CAS Number	109-63-7
PubChem CID	8000
IUPAC Name	ethoxyethane;trifluoroborane
Molecular Formula	C4H10BF3O
Molecular Weight	141.93
Topological Polar Surface Area	9.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	9
Formal Charge	0
Complexity	19

SMILES

B(F)(F)F.CCOCC

InChI

InChI=1S/C4H10O.BF3/c1-3-5-4-2;2-1(3)4/h3-4H2,1-2H3;

InChIKey

KZMGYPLQYOPHEL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 109-63-7

CID: 8000

Formula: C4H10BF3O

MW: 141.93

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	141.93
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	142.0776796
Monoisotopic Mass	142.0776796
Topological Polar Surface Area	9.2 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	19.1
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	2
Compound Is Canonicalized	Yes

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Catalog	Name
FB29693-01	Boron trifluoride etherate
1021020 25	Boron Trifluoride Etherate (Boron Trifluoride Ethyl Ether complex) Bf3
sc-234199	Boron trifluoride dibutyl etherate
109-63-7	Boron trifluoride diethyl etherate
027455-01	Boron Trifluoride Etherate (Boron Trifluoride Ethyl Ether complex) 48-53% Bf3
443368-01	Boron Trifluoride Diethyl Etherate discontinued
52519-01	Boron Trifluoride Diethyl Etherate pure, 45-50% BF3
00464 02500	Boron Trifluoride-ethyl Ether Complex 45-50% For Synthesis
sc-257185A	Boron trifluoride solution
B17553-01	Boron trifluoride dihydrate