4-(4,4,5,5-Tetramethyl-(1,3,2)dioxaborolan-2-yl)cyclohex-3-ene-1-carboxylic acid ethyl ester

HCID 59278796CAS 1049004-32-1

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Grundinformationen

Standard-SMILES: CCOC(=O)C1CC=C(B2OC(C)(C)C(C)(C)O2)CC1
InChIKey: ZREZDODZGZVRBD-UHFFFAOYSA-N
Summenformel: C15H25BO4
Durchschnittliche Molmasse: 280,17 g/mol
Monoisotopische Masse: 280,18458968

Namen und Bezeichner

Bevorzugter Name: 4-(4,4,5,5-Tetramethyl-(1,3,2)dioxaborolan-2-yl)cyclohex-3-ene-1-carboxylic acid ethyl ester
IUPAC: ethyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-ene-1-carboxylate
Englischer Name: 4-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)cyclohex-3-ene-1-carboxylic acid ethyl ester
Summenformel: C15H25BO4
Molmasse: 280.17

Namen und Synonyme

4-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)cyclohex-3-ene-1-carboxylic acid ethyl ester4-(4,4,5,5-Tetramethyl-(1,3,2)dioxaborolan-2-yl)cyclohex-3-ene-1-carboxylic acid ethyl esterRefChem:513439870-635-31049004-32-1Ethyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-enecarboxylateethyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-ene-1-carboxylateMFCD115205461-Ethoxycarbonylcyclohex-3-ene-4-boronic acid pinacol ester4-(Ethoxycarbonyl)cyclohexene-1-boronic acid pinacol ester4-(Ethoxycarbonyl)cyclohexene-1-boronic acid, pinacol esterEthyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl);cyclohex-3-enecarboxylate

Weitere Namen anzeigen

Ethyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)4-(Ethoxycarbonyl)cyclohexene-1-boronic acid, pinacol ester 97%4-(ETHOXY(HYDROXY)BORYL)CYCLOHEX-3-ENECARBOXYLATE PINACOL ESTEREthyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-cycl...ethyl 4-(hydroxy((3-hydroxy-2,3-dimethylbutan-2-yl)oxy)boryl)cyclohex-

ethyl 4-(tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-ene-1-carboxylateBpin-Cyclohexene-COOEt4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-Cyclohexene-1-carboxylic acid ethyl esterSCHEMBL1289705DTXSID70731435ZREZDODZGZVRBD-UHFFFAOYSA-NAKOS015999414CS-W006635

Datenbank-Bezeichner

CAS: 1049004-32-1
PubChem CID: 59278796
DTXSID: DTXSID70731435
EC Number: 870-635-3

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 44,8 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 4
Schwere Atome: 20
Formalladung: 0
Komplexität: 398

Physikochemische Eigenschaften

Siedepunkt: 312.6 · 312.6±52.0 °C(Predicted)
Dichte: 1.03 · 1.03
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
Aggregatzustand: Liquid
Farbe: Colorless to light yellow
InChI: InChI=1S/C15H25BO4/c1-6-18-13(17)11-7-9-12(10-8-11)16-19-14(2,3)15(4,5)20-16/h9,11H,6-8,10H2,1-5H3
InChIKey: ZREZDODZGZVRBD-UHFFFAOYSA-N
SMILES: C1(C(OCC)=O)CCC(B2OC(C)(C)C(C)(C)O2)=CC1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 33.3% (1 of 3) of reports.

Warning

H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.