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Molecule
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 Mass
- 85.94300000000001 g/mol
Identifiers
CAS Registry Number
14044-65-6
SMILES
[BH3-][O+]1CCCC1
InChI Key
NPKJJCLQKCPGEZ-UHFFFAOYSA-N
InChI
InChI=1S/C4H11BO/c5-6-3-1-2-4-6/h1-4H2,5H3
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
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Wikipedia Url | https://en.wikipedia.org/wiki/Borane%E2%80%93tetrahydrofuran | CAS Common Chemistry |
| Canonical SMILES | [H-][B+3]([H-])([H-])O1CCCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C4H11BO/c5-6-3-1-2-4-6/h1-4H2,5H3 | CAS Common Chemistry |
| InChI Key | InChIKey=NPKJJCLQKCPGEZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | (T-4)-Trihydro(tetrahydrofuran)boron | CAS Common Chemistry |
| Borane–tetrahydrofuran | CAS Common Chemistry | |
| Molecular Mass | 85.94300000000001 g/mol | RDKit |
| 86.090295372 g/mol | RDKit | |
| 85.943 g/mol | RDKit | |
| 85.941 g/mol | chempirical lib | |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 2.700000000000001 Ų | RDKit |
| 2.7 Ų | RDKit | |
| LogP | -0.3871000000000002 | RDKit |
| -0.3871 | RDKit | |
| Molar Refractivity | 29.991999999999987 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 85.94 g/mol | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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.
External Resources
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MW = 85.94 g/mol. Edit any field — others recompute live.
