2-(4,4-Difluorocyclohex-1-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

HCID 59351393

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Grundinformationen

CAS: 1227068-84-9
Standard-SMILES: CC1(C)OB(C2=CCC(F)(F)CC2)OC1(C)C
InChIKey: WSLRIJFIFPFAFB-UHFFFAOYSA-N
Summenformel: C12H19BF2O2
Durchschnittliche Molmasse: 244,09 g/mol
Monoisotopische Masse: 244,1446163

Namen und Bezeichner

Bevorzugter Name: 2-(4,4-Difluorocyclohex-1-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
IUPAC: 2-(4,4-difluorocyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Englischer Name: 2-(4,4-Difluorocyclohex-1-en-1-yl)-4,4,5,5-tetraMethyl-1,3,2-dioxaborolane
Summenformel: C12H19BF2O2
Molmasse: 244.09

Namen und Synonyme

1227068-84-92-(4,4-Difluorocyclohex-1-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolaneDTXSID80731608RefChem:251769DTXCID70682352837-348-54,4-Difluorocyclohexene-1-boronic Acid Pinacol EsterC12H19BF2O24,4-Difluoro-1-cyclohexene-1-boronic acid pinacol esterMFCD116179242-(4,4-difluorocyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane2-(4,4-difluorocyclohex-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Weitere Namen anzeigen

4,4-difluorocyclohexyl boronic esterE)-1-Ethoxyethylene-2-boronic acid pinacol ester2-(4,4-DIFLU0R0CYCL0HEX-1- EN-l-YD-4, 4, 5, 5- TETRAMETHYL-1, 3, 2-

2-(4,4-DIFLUORO-1-CYCLOHEXEN-1-YL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANESCHEMBL6620741,3,2-DIOXABOROLANE, 2-(4,4-DIFLUORO-1-CYCLOHEXEN-1-YL)-4,4,5,5-TETRAMETHYL-4,4-DIFLUOROCYCLOHEX-1-ENYLBORONIC ACID PINACOL ESTER(4,4-DIFLUOROCYCLOHEX-1-EN-1-YL)BORONIC ACID PINACOL ESTERBCP32085FT-0762706A855949

Datenbank-Bezeichner

CAS: 1227068-84-9
PubChem CID: 59351393
DTXSID: DTXSID80731608
EC Number: 837-348-5

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 18,5 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 1
Schwere Atome: 17
Formalladung: 0
Komplexität: 334

Physikochemische Eigenschaften

Siedepunkt: 233.3 · 233.3±50.0 °C(Predicted)
Dichte: 1.06 · 1.06±0.1 g/cm3(Predicted)
storage temp.: -20 °C · Inert atmosphere,Store in freezer, under -20°C

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, 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.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

Sicherheitsdaten

Alarmwort: Warnung
Gefahrenhinweise: Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden2-(4,4-Difluoro-1-cyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane, is used as a reagent in the preparation of 4-(cycloalkanyloxy)benzenesulfonamide derivatives as inhibitors of voltage-gated sodium channel for prevention and treatment of pains.