2-Cyclopropyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

HCID 2758015

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Grundinformationen

CAS: 126689-01-8
Standard-SMILES: CC1(C)OB(C2CC2)OC1(C)C
InChIKey: XGBMQBPLWXTEPM-UHFFFAOYSA-N
Summenformel: C9H17BO2
Durchschnittliche Molmasse: 168,04 g/mol
Monoisotopische Masse: 168,13216018

Namen und Bezeichner

Bevorzugter Name: 2-Cyclopropyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
IUPAC: 2-cyclopropyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Englischer Name: Cyclopropylboronic acid pinacol ester
Summenformel: C9H17BO2
Molmasse: 168.04

Namen und Synonyme

126689-01-82-Cyclopropyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolaneCyclopropylboronic acid pinacol esterDTXSID50374127RefChem:471147DTXCID90325158603-153-7cyclopropylboronic acid, pinacol esterMFCD056638471,3,2-DIOXABOROLANE, 2-CYCLOPROPYL-4,4,5,5-TETRAMETHYL-cyclopropyl boronic acid pinacol ester2-cyclopropyl-4,4,5,5-tetramethyl-[1,3,2]dioxaborolane

Weitere Namen anzeigen

AKOS BRN-0606CAS:126689-01-8Cyclopropylboronic acid picol esterTriamcinolone Acetonide Impurity 17Cyclopropylboronic acid pinacol este2-CYCLOPROPYLBORONIC ACID, PINACOL ESTER2-Cyclopropyl-4,4,5,5-tetramethyl-1,3,2-Cyclopropylboronic acid pinacol ester - [C2488]

(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropaneSCHEMBL584593Cyclopropylborate pinacol esterCyclopropylboronsaure-PinacolesterSBB088131AKOS0041192762-Cyclopropylboronic acid pinacol esterAB21938

Datenbank-Bezeichner

CAS: 126689-01-8
PubChem CID: 2758015
DTXSID: DTXSID50374127
EC Number: 603-153-7
Nikkaji: J396.329B

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 18,5 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 12
Formalladung: 0
Komplexität: 181

Physikochemische Eigenschaften

Siedepunkt: 146 °C · 146 °C
Dichte: 0.922 g/mL · 0.922 g/mL at 25 °C
Brechungsindex: 20 · n20/D 1.433
Flammpunkt: 104 °F · 104 °F
storage temp.: Inert atmosphere,Room Temperature
Aggregatzustand: liquid
Farbe: colorless
InChI: InChI=1S/C9H17BO2/c1-8(2)9(3,4)12-10(11-8)7-5-6-7/h7H,5-6H2,1-4H3
InChIKey: XGBMQBPLWXTEPM-UHFFFAOYSA-N
SMILES: O1C(C)(C)C(C)(C)OB1C1CC1
CAS Datenbank: 126689 · 126689-01-8(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H226 (96.4%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 55 reports by companies from 5 notifications to the ECHA C&L Inventory.

Gefahrenhinweise

Hazard Classes and CategoriesFlam. Liq. 3 (96.4%)

Sicherheitsdaten

wgk: 3
tsca: No
ridadr: UN 3272 3/PG 3
hs_code: 29319090
risk_code: 10
hazard_code: Xi
safety_code: 16
hazard_class: 3
packing_group: III
Speicherklasse: 3 - Flammable liquids
Hazard Classifications: Flam. Liq. 3

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenCyclopropylboronic acid pinacol ester can be used:As a cyclopropylating reagent in the study of thiophenol S-cyclopropylation, catalyzed by copper(II) acetate.In one of the key synthetic steps for the preparation of 5-lipoxygenase activating protein (FLAP) inhibitor.