2-Isopropoxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (HCID 5017741)

Namen und Bezeichner

Bevorzugter Name: 2-Isopropoxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
IUPAC: 4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane
Englischer Name: 2-Isopropoxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Summenformel: C9H19BO3
Molmasse: 186.06

Namen und Synonyme

61676-62-82-Isopropoxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolaneDTXSID20407552Isopropoxy 4,4,5,5-tetramethyl-1,3,2-dioxaborolaneRefChem:473860DTXCID70358404612-189-2Isopropoxyboronic acid pinacol ester4,4,5,5-tetramethyl-2-(propan-2-yloxy)-1,3,2-dioxaborolaneMFCD001922414,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolanePINBOP

Weitere Namen anzeigen

Isopropyl pinacol borateIsopropoxyboronic acidIsopropoxyboronic acid pinacolsopropoxyboronic acid pinacol esterAKOS BRN-0268-1,3,2-dioxa-boroLIsopropoxyboronic aTriazolam Impurity 5Isopropoxyboronic aci

C9H19BO3isopropoxyboronic acid, pinacol ester2-ISOPROPOXY-4,4,5,5-DIMETHYL-1,3,2-DIOXABOROLANE1,3,2-Dioxaborolane, 4,4,5,5-tetramethyl-2-(1-methylethoxy)-2-iso-propoxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane4,4,5,5-Tetramethyl-2-[(propan-2-yl)oxy]-1,3,2-dioxaborolaneIsopropylpinacolylborateSCHEMBL9839

Datenbank-Bezeichner

CAS: 61676-62-8
PubChem CID: 5017741
DTXSID: DTXSID20407552
UNII: N8EBT474A2
EC Number: 612-189-2
Nikkaji: J1.428.798A

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 27,7 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 2
Schwere Atome: 13
Formalladung: 0
Komplexität: 173

Physikochemische Eigenschaften

Siedepunkt: 73 °C15 · 73 °C15 mm Hg(lit.)
Dichte: 0.912 g/mL · 0.912 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.409(lit.)
Flammpunkt: 109 °F · 109 °F
storage temp.: 2 · Inert atmosphere,2-8°C
Löslichkeit: Chloroform (Slightly), Methanol (Slightly)
Aggregatzustand: Liquid
Wichte: 0.912 · 0.912
Farbe: Colorless
Wasserlöslichkeit: Soluble in water.
BRN: 1906370 · 1906370
InChI: InChI=1S/C9H19BO3/c1-7(2)11-10-12-8(3,4)9(5,6)13-10/h7H,1-6H3
InChIKey: MRWWWZLJWNIEEJ-UHFFFAOYSA-N
SMILES: O1C(C)(C)C(C)(C)OB1OC(C)C
CAS Datenbank: 61676 · 61676-62-8(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H226 (99.4%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 164 reports by companies from 15 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory InformationStatus: Active Update: 05-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/22774

Hazard Classes and CategoriesFlam. Liq. 3 (99.4%)

Sicherheitsdaten

wgk: 3
ridadr: UN 1993 3/PG 3
hs_code: 29209090
risk_code: 10-36/37/38
hazard_code: Xi
safety_code: 16-26-36
hazard_class: 3
packing_group: III
Speicherklasse: 3 - Flammable liquids
Hazard Classifications: Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden2-Isopropoxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane can be used as a reagent to borylate arenes and to prepare fluorenylborolane.It can also be used in the synthesis of following intermediates for generating conjugated copolymers:9,9-Dioctyl-2,7-bis(4,4,5,5-tetramethyl1,3,2-dioxaborolane-2-yl)dibenzosilole.3,9-Bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5,11-di(1-decylundecyl)indolo[3,2-b]carbazole.2,7-Bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9,9-dioctylfluorene.2,7-Bis(4′,4′,5′,5′-tetramethyl-1′,3′,2′-dioxaborolan-2′-yl)-N-9′′-heptadecanylcarbazole.