4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole

HCID 45480186

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Grundinformationen

CAS: 885618-33-7
Standard-SMILES: CC1(C)OB(c2cccc3[nH]ncc23)OC1(C)C
InChIKey: YRPXZCWDXBNPBD-UHFFFAOYSA-N
Summenformel: C13H17BN2O2
Durchschnittliche Molmasse: 244,1 g/mol
Monoisotopische Masse: 244,13830818

Namen und Bezeichner

Bevorzugter Name: 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole
IUPAC: 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole
Englischer Name: 4-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-1H-indazole
Summenformel: C13H17BN2O2
Molmasse: 244.1

Namen und Synonyme

885618-33-74-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-INDAZOLEDTXSID60670228RefChem:97181DTXCID30620977813-280-14-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-1H-INDAZOLEINDAZOLE-4-BORONIC ACID PINACOL ESTER1H-Indazol-4-ylboronic acid pinacol ester4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazoleMFCD080592671h-indazol-4-boronic acid pinacol ester

Weitere Namen anzeigen

2-dioxaborolan-2-1H-indazol-4-boronicIndazole-4-boronic acid p...2-dioxaborolan-2-yl)-1H-indazolePinacol ester indazole-4-boronic acid1H-Indazole-4-boronic acid picol ester1H-Indazole-4-boronic acid pinacol ester1H-Indazole-4-boronic acid pinacol ester, 95%,

4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-indazoleIndazole-4-boronic acid pinacol ester;1H-indazol-4-boronic acid pinacol ester1788080-10-31H-INDAZOLE, 4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-SCHEMBL189955(1H-INDAZOL-4-YL)BORONIC ACID PINACOL ESTERSCHEMBL15386214SCHEMBL29376674

Datenbank-Bezeichner

CAS: 885618-33-7
PubChem CID: 45480186
DTXSID: DTXSID60670228
EC Number: 813-280-1

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 47,1 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 18
Formalladung: 0
Komplexität: 319

Physikochemische Eigenschaften

Schmelzpunkt: 139 · 139-142℃
storage temp.: 2 · Inert atmosphere,2-8°C
Aggregatzustand: solid
Farbe: White to off-white
InChI: InChI=1S/C13H17BN2O2/c1-12(2)13(3,4)18-14(17-12)10-6-5-7-11-9(10)8-15-16-11/h5-8H,1-4H3,(H,15,16)
InChIKey: YRPXZCWDXBNPBD-UHFFFAOYSA-N
SMILES: N1C2=C(C(B3OC(C)(C)C(C)(C)O3)=CC=C2)C=N1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.

Warning

H315 (50%): 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.