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Molecule
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
- 253.94399999999996 g/mol
Identifiers
CAS Registry Number
73183-34-3
SMILES
CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C
InChI Key
IPWKHHSGDUIRAH-UHFFFAOYSA-N
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
Names and Synonyms
- Bis(Pinacolato)Diboron Synonym
- 2,2′-Bi-1,3,2-dioxaborolane, 4,4,4′,4′,5,5,5′,5′-octamethyl- Synonym
- 1,3,2-Dioxaborolane, bimol. deriv. Synonym
- 4,4,4′,4′,5,5,5′,5′-Octamethyl-2,2′-bi-1,3,2-dioxaborolane Synonym
- Bis(pinacolato)diborane Synonym
- B2Pin2 Synonym
- Bis(pinacolato)diborane(4) Synonym
- 4,4,5,5,4′,4′,5′,5′-Octamethyl-[2,2′]bi[[1,3,2]dioxaborolanyl] Synonym
- Diboron pinacol ester Synonym
- Pinacol diborane Synonym
- 4,4,5,5-Tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane Synonym
- 2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane Synonym
- 4,4,4′,4′,5,5,5′,5′-Octamethyl-2,2′-bi-1,3,2-dioxaborolan Synonym
- Bis(pinacolate)diboron Synonym
- Bis(pinacolato) diborate Synonym
- 4,4′,5,5′-Octamethyl-2,2′-bi-1,3,2-dioxaborolane Synonym
- Dipinacoldiboron Synonym
- 4,4,4′,4′,5,5,5′,5′-Octamethyl-2,2′-bis(1,3,2-dioxaborolane) Synonym
- 4,4,5,5,4′,4′,5′,5′-Octamethyl-2,2′-bis(1,3,2-dioxaborolane) Synonym
- Bis-pinacoldiboron Synonym
- 4,4,5,5-Tetramethyl-2-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane Synonym
- Bis(4,4,5,5-tetramethyl-[1,3]dioxolan-2-yl)borane Synonym
- 4,4,4′,4′,5,5,5′,5′-Octamethyl-2,2′-bi-1,3,2-dioxaborolane [B2(pin)2] Synonym
- 4,4,5,5-Tetramethyl-1,3,2-dioxaborane Synonym
- 4,4,5,5,4′,4′,5′,5′-octamethyl-2,2′-bi(1,3,2-dioxaborolane) Synonym
- Bis(pinanolato)diboron Synonym
- 4,4,5,5-Tetramethyl-2-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolan Synonym
- Octamethyl-2,2′-bi(1,3,2-dioxaborolane) Synonym
- 4,4,4′,4′,5,5,5′,5′-Octamethyl-2,2′-bi(1,3,2-dioxaborolane) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| 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 | |
| Molecular Mass | 253.94399999999996 g/mol | RDKit |
| 254.186070048 g/mol | RDKit | |
| 253.944 g/mol | RDKit | |
| 253.94 g/mol | chempirical lib | |
| 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 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 253.94 g/mol | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 253.94 g/mol. Edit any field — others recompute live.
