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Borane–Tetrahydrofuran
CAS: 14044-65-6 | C4H11BO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
14044-65-6
Molecular Formula:
C4H11BO
Molecular Weight:
85.94300000000001 g/mol
Names and Synonyms:
Borane–Tetrahydrofuran
Synonym
Boron, trihydro(tetrahydrofuran)-, (T-4)-
Synonym
Furan, tetrahydro-, compd. with borane (1:1)
Synonym
Furan, tetrahydro-, compd. with BH3 (1:1)
Synonym
Furan, tetrahydro-, compd. with BH3
Synonym
Borane, compd. with tetrahydrofuran (1:1)
Synonym
(T-4)-Trihydro(tetrahydrofuran)boron
Synonym
Borane-tetrahydrofuran
Synonym
Trihydro(tetrahydrofuran)boron
Synonym
Borane-THF (1:1)
Synonym
Borane-THF complex (1:1)
Synonym
Borane-tetrahydrofuran (1:1)
Synonym
Boron hydride (BH3)-THF (1:1)
Synonym
(Tetrahydrofuran)borane
Synonym
Tetrahydrofuran-borane (1:1)
Synonym
Trihydrido(tetrahydrofuran)boron
Synonym
Tetrahydrofuran-trihydroborane complex
Synonym
Trihydro(tetrahydrofuran)borane
Synonym
Tetrahydrofuran-trihydroborane
Synonym
Identifiers:
SMILES:
[BH3-][O+]1CCCC1
InChI:
InChI=1S/C4H11BO/c5-6-3-1-2-4-6/h1-4H2,5H3
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 85.94300000000001 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 86.090295372 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 6 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 0 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 2.700000000000001 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -0.3871000000000002 | RDKit |
| molecular_mass | 85.94 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Borane%E2%80%93tetrahydrofuran None | Legacy Database |
| cas-canonical-smile | [H-][B+3]([H-])([H-])O1CCCC1 None | Legacy Database |
| cas-inchi | InChI=1S/C4H11BO/c5-6-3-1-2-4-6/h1-4H2,5H3 None | Legacy Database |
| cas-inchi-key | InChIKey=NPKJJCLQKCPGEZ-UHFFFAOYSA-N None | Legacy Database |
| cas-name | (T-4)-Trihydro(tetrahydrofuran)boron None | Legacy Database |
| wikipedia-name | Borane–tetrahydrofuran None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 29.991999999999987 | RDKit |