Grundinformationen
- Standard-SMILES
CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C- InChIKey
IPWKHHSGDUIRAH-UHFFFAOYSA-N- Summenformel
- C12H24B2O4
- Durchschnittliche Molmasse
- 253,9 g/mol
- Monoisotopische Masse
- 254,18607005
Überblick
Bis(pinacolato)diboron is a 1,3,2-dioxaborolane that is 4,4,5,5-tetramethyl-1,3,2-dioxaborolane in which the boron hydrogen at position 2 is replaced by a 4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl group. It is a reagent used in organic synthesis to synthesise pinacol boronic esters. It has a role as an EC 3.4.24.24 (gelatinase A) inhibitor.
Namen und Bezeichner
- Bevorzugter Name
- Bis(pinacolato)diborane
- IUPAC
- 4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
- Englischer Name
- Bis(pinacolato)diboron
- Summenformel
- C12H24B2O4
- Molmasse
- 253.94
Namen und Synonyme
Bis(pinacolato)diboron73183-34-3bis(pinacolato)diboraneDipinacoldiboronPinacol diboraneB2Pin2Diboron pinacol ester4,4,4',4',5,5,5',5'-Octamethyl-2,2'-bi-1,3,2-dioxaborolaneMiyaura's reagent2,2'-Bi-1,3,2-dioxaborolane, 4,4,4',4',5,5,5',5'-octamethyl-I906W26P4UCHEBI:183312
Weitere Namen anzeigen
BPINPin2B2(BPin)2B2Pin4,4,5,5-tetramethyl-2-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolaneBis(pinacolate)diboron
DTXSID30369935RefChem:569258B(P)DBDTXCID40320971615-925-04,4,4',4',5,5,5',5'-Octamethyl-2,2'-bi(1,3,2-dioxaborolane)4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolaneMFCD00799570
Datenbank-Bezeichner
- CAS
73183-34-3- PubChem CID
- 2733548
- DTXSID
DTXSID30369935- ChEBI
CHEBI:183312- UNII
- I906W26P4U
- EC Number
- 615-925-0
- Nikkaji
- J698.829F
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 36,9 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 18
- Formalladung
- 0
- Komplexität
- 286
Experimentelle und physikochemische Eigenschaften
Chemical ClassesMetals -> Metalloid Compounds (Boron)
Physical DescriptionColorless solid; [Merck Index]
Physikochemische Eigenschaften
- Schmelzpunkt
- 137 · 137-140 °C(lit.)
- Siedepunkt
- 222.6 · 222.6±7.0 °C(Predicted)
- Dichte
- 0.98 · 0.98
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- Löslichkeit
- Chloroform (Slightly), Methanol (Slightly)
- Aggregatzustand
- Powder or Platelets
- Farbe
- White
- Wasserlöslichkeit
- Soluble in tetrahydrofuran, dichloromethane, toluene, hexane and heptane. Insoluble in water.
- Merck
- 14 · 14,1300
- BRN
- 7703552 · 7703552
- 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
- InChIKey
- IPWKHHSGDUIRAH-UHFFFAOYSA-N
- SMILES
- O1C(C)(C)C(C)(C)OB1B1OC(C)(C)C(C)(C)O1
- CAS Datenbank
- 73183 · 73183-34-3(CAS DataBase Reference)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 67.3% (107 of 159) of all reports.
Danger
H302 (14.5%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 159 reports by companies from 17 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory InformationStatus: Active Update: 20-01-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/10449
Hazards SummaryA skin and strong eye irritant; [Alfa Aesar MSDS]
Hazard Classes and CategoriesAcute Tox. 4 (14.5%)
Sicherheitsdaten
- wgk
- 3
- tsca
- No
- hs_code
- 29349990
- risk_code
- 36/37/38-20/21/22
- hazard_code
- Xi,Xn
- hazard_note
- Irritant
- safety_code
- 26-37/39-36-24/25
- hazard_class
- IRRITANT, IRRITANT-HARMFUL, KEEP COLD
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Verwendung und Herstellung
UsesUsed as a boron source in organic syntheses; [Merck Index]
Anwendungen
VerwendenBis(pinacolato)diboron is used as a condensation agent in the preparation poly(arylene)s. Bis(pinacolato)diboron is an organoboranate with potential use as matrix metallo-proteinase (MMP-2) inhibitor.
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