2-(3,4-Dimethoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

HCID 15906195

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Grundinformationen

CAS: 365564-10-9
Standard-SMILES: COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1OC
InChIKey: QPWUFMRNTUHMJD-UHFFFAOYSA-N
Summenformel: C14H21BO4
Durchschnittliche Molmasse: 264,13 g/mol
Monoisotopische Masse: 264,15328955

Namen und Bezeichner

Bevorzugter Name: 2-(3,4-Dimethoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
IUPAC: 2-(3,4-dimethoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Englischer Name: 3,4-Dimethoxyphenylboronic acid, pinacol ester
Summenformel: C14H21BO4
Molmasse: 264.13

Namen und Synonyme

365564-10-92-(3,4-Dimethoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolaneDTXSID00579281RefChem:251223DTXCID70530046675-096-63,4-Dimethoxyphenylboronic acid pinacol ester3,4-dimethoxyphenylboronic acid, pinacol esterMFCD058639092-(3,4-dimethoxyloxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolaneSCHEMBL1877988QPWUFMRNTUHMJD-UHFFFAOYSA-N

Weitere Namen anzeigen

4-DiMethoxyloxyphenyl)-42-(3,4-Dimethoxyphenyl)-4,4,5,5-tetramethyl-3,4-Dimethoxybenzeneboronic acid, pinacol ester3,4-Dimethoxybenzeneboronic acid, pinacol ester 97%3,4-DIMETHOXYPHENYLBORONIC ACID, PINACOL ESTER-YL) METHANAMINE1,3,2-Dioxaborolane, 2-(3,4-dimethoxyphenyl)-4,4,5,5-tetramethyl-1,2-Dimethoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene

2-(3,4-Dimethoxy-phenyl)-4,4,5,5-tetramethyl-[1,3,2]dioxaborolaneSBB071378AKOS015917398AB22703AS-2957CS-W021387SY105017D5533

Datenbank-Bezeichner

CAS: 365564-10-9
PubChem CID: 15906195
DTXSID: DTXSID00579281
EC Number: 675-096-6
Nikkaji: J1.683.545E

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 36,9 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 3
Schwere Atome: 19
Formalladung: 0
Komplexität: 303

Physikochemische Eigenschaften

Schmelzpunkt: 86 · 86-87°C
Siedepunkt: 352.5 · 352.5±32.0 °C(Predicted)
Dichte: 1.05 · 1.05±0.1 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
Aggregatzustand: powder to crystal
Farbe: White to Almost white
InChI: 1S/C14H21BO4/c1-13(2)14(3,4)19-15(18-13)10-7-8-11(16-5)12(9-10)17-6/h7-9H,1-6H3
InChIKey: QPWUFMRNTUHMJD-UHFFFAOYSA-N
SMILES: B2(OC(C(O2)(C)C)(C)C)c1cc(c(cc1)OC)OC

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 25% (1 of 4) of reports.

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (50%)

Sicherheitsdaten

wgk: 3
hs_code: 2931900090
risk_code: 20/21/22-36/37/38-36
hazard_code: Xn,Xi
safety_code: 36/37/39-26
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3