(E)-2-Cyclopropylethylene-1-boronic acid, pinacol ester

HCID 16217940

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Grundinformationen

CAS: 849061-99-0
Standard-SMILES: CC1(C)OB(/C=C/C2CC2)OC1(C)C
InChIKey: FCWYPDPDAZGFRJ-BQYQJAHWSA-N
Summenformel: C11H19BO2
Durchschnittliche Molmasse: 194,08 g/mol

Namen und Bezeichner

Bevorzugter Name: (E)-2-Cyclopropylethylene-1-boronic acid, pinacol ester
IUPAC: 2-[(E)-2-cyclopropylethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Englischer Name: trans-2-Cyclopropylvinylboronic acid pinacol ester, 96%
Summenformel: C11H19BO2
Molmasse: 194.08

Namen und Synonyme

(E)-2-Cyclopropylethylene-1-boronic acid, pinacol esterRefChem:406283641-146-0849061-99-0(E)-2-Cyclopropylvinylboronic acid pinacol ester(E)-2-(2-cyclopropylvinyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane2-[(E)-2-CYCLOPROPYLETHENYL]-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANEMFCD07369776trans-2-Cyclopropylvinylboronic acid pinacol ester1092449-35-8(trans)-2-Cyclopropylvinylboronic acid pinacol ester2-(2-CYCLOPROPYLVINYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE

Weitere Namen anzeigen

trans-2-Cyclopropylvinylboronic acid pinacol ester,96%trans-2-Cyclopropylvinylboronic acid pinacol ester, 96%trans-2-Cyclopropylvinylboronic acid pinacol ester, 96%(trans)-2-Cyclopropylvinylboronic acid pinacol ester 96%(E)-2-Cyclopropylethylene-1-boronic acid, pinacol ester 97%1,3,2-Dioxaborolane, 2-[(1E)-2-cyclopropylethenyl]-4,4,5,5-tetramethyl-

2-[(E)-2-cyclopropylvinyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolaneSCHEMBL447591FCWYPDPDAZGFRJ-BQYQJAHWSA-NAKOS015893167GS-5856FT160685SY122212DB-098371

Datenbank-Bezeichner

CAS: 849061-99-0
PubChem CID: 16217940
EC Number: 641-146-0
Nikkaji: J2.898.738B、J3.344.102I

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 18,5 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 2
Schwere Atome: 14
Formalladung: 0
Komplexität: 238

Physikochemische Eigenschaften

Siedepunkt: 90 · 90-95 °C/3-4 mmHg(lit.)
Dichte: 0.937 g/mL · 0.937 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.466(lit.)
Flammpunkt: 93 °C · 93 °C
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
InChI: 1S/C11H19BO2/c1-10(2)11(3,4)14-12(13-10)8-7-9-5-6-9/h7-9H,5-6H2,1-4H3/b8-7+
InChIKey: FCWYPDPDAZGFRJ-BQYQJAHWSA-N
SMILES: CC1(C)OB(OC1(C)C)\C=C\C2CC2

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H227 (50%): Combustible liquid [Warning Flammable liquids]

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

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.