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Bis(Pinacolato)Diboron
CAS: 73183-34-3 | C12H24B2O4
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
73183-34-3
Molecular Formula:
C12H24B2O4
Molecular Mass:
253.94 g/mol
Names and Synonyms:
Bis(Pinacolato)Diboron
2,2′-Bi-1,3,2-dioxaborolane, 4,4,4′,4′,5,5,5′,5′-octamethyl-
1,3,2-Dioxaborolane, bimol. deriv.
4,4,4′,4′,5,5,5′,5′-Octamethyl-2,2′-bi-1,3,2-dioxaborolane
Bis(pinacolato)diborane
B2Pin2
Bis(pinacolato)diborane(4)
4,4,5,5,4′,4′,5′,5′-Octamethyl-[2,2′]bi[[1,3,2]dioxaborolanyl]
Diboron pinacol ester
Pinacol diborane
4,4,5,5-Tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
4,4,4′,4′,5,5,5′,5′-Octamethyl-2,2′-bi-1,3,2-dioxaborolan
Bis(pinacolate)diboron
Bis(pinacolato) diborate
4,4′,5,5′-Octamethyl-2,2′-bi-1,3,2-dioxaborolane
Dipinacoldiboron
4,4,4′,4′,5,5,5′,5′-Octamethyl-2,2′-bis(1,3,2-dioxaborolane)
4,4,5,5,4′,4′,5′,5′-Octamethyl-2,2′-bis(1,3,2-dioxaborolane)
Bis-pinacoldiboron
4,4,5,5-Tetramethyl-2-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
Bis(4,4,5,5-tetramethyl-[1,3]dioxolan-2-yl)borane
4,4,4′,4′,5,5,5′,5′-Octamethyl-2,2′-bi-1,3,2-dioxaborolane [B2(pin)2]
4,4,5,5-Tetramethyl-1,3,2-dioxaborane
4,4,5,5,4′,4′,5′,5′-octamethyl-2,2′-bi(1,3,2-dioxaborolane)
Bis(pinanolato)diboron
4,4,5,5-Tetramethyl-2-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolan
Octamethyl-2,2′-bi(1,3,2-dioxaborolane)
4,4,4′,4′,5,5,5′,5′-Octamethyl-2,2′-bi(1,3,2-dioxaborolane)
Identifiers:
SMILES:
CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C
InChI:
InChI=1S/C12H24B2O4/c1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14/h1-8H3
Key Properties
Melting Point
115-117 °C @ Solvent: Hexane
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 | 253.94 g/mol | CAS Common Chemistry |
| 253.94399999999996 g/mol | RDKit | |
| 254.186070048 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Bis(pinacolato)diboron | CAS Common Chemistry |
| Canonical SMILES | O1B(OC(C)(C)C1(C)C)B2OC(C)(C)C(O2)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C12H24B2O4/c1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14/h1-8H3 | CAS Common Chemistry |
| InChI Key | InChIKey=IPWKHHSGDUIRAH-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 115-117 °C @ Solvent: Hexane | CAS Common Chemistry |
| Name | Bis(pinacolato)diborane | CAS Common Chemistry |
| Bis(pinacolato)diboron | CAS Common Chemistry | |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 36.92 Ų | RDKit |
| LogP | 2.2492 | RDKit |
| Molar Refractivity | 72.16400000000006 | RDKit |
