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Pyridine-Borane
CAS: 110-51-0 | C5H8BN
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
110-51-0
Molecular Formula:
C5H8BN
Molecular Mass:
92.94 g/mol
Names and Synonyms:
Pyridine-Borane
Boron, trihydro(pyridine)-, (T-4)-
Pyridine, compd. with borane (1:1)
Pyridine, compd. with BH3 (1:1)
Pyridine, compd. with BH3
Borane, compd. with pyridine (1:1)
(T-4)-Trihydro(pyridine)boron
Pyridine-borane
Trihydro(pyridine)boron
Borane-pyridine (1:1)
NSC 10219
NSC 53324
Borane pyridine complex
Identifiers:
SMILES:
[BH3-][n+]1ccccc1
InChI:
InChI=1S/C5H8BN/c6-7-4-2-1-3-5-7/h1-5H,6H3
Key Properties
Melting Point
46-47 °C
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 92.94 g/mol | CAS Common Chemistry |
| 92.93799999999999 g/mol | RDKit | |
| 93.074979656 g/mol | RDKit | |
| Canonical SMILES | [H-][B+3]([H-])([H-])[N]=1C=CC=CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C5H8BN/c6-7-4-2-1-3-5-7/h1-5H,6H3 | CAS Common Chemistry |
| InChI Key | InChIKey=LPGWNCNRGQANGC-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 46-47 °C | CAS Common Chemistry |
| Name | Pyridine-borane | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 3.88 Ų | RDKit |
| LogP | -0.8974000000000004 | RDKit |
| Molar Refractivity | 31.973999999999993 | RDKit |
